USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 734 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 GLU N :NH3+ 173:sc= 1.09 (180deg=-0.019) USER MOD Set 1.2: A 32 SER OG : rot 130:sc= -1.19 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 60:sc= 1.18 USER MOD Single : A 11 GLN : amide:sc= -20.8! C(o=-21!,f=-23!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -11.8! C(o=-15!,f=-12!) USER MOD Single : A 18 ASN : amide:sc= -5.13! C(o=-5.1!,f=-5.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0371! USER MOD Single : A 26 SER OG : rot 180:sc= 0.0432 USER MOD Single : A 28 GLN : amide:sc= -0.476 K(o=-0.48,f=-1.2) USER MOD Single : A 31 THR OG1 : rot 23:sc= 0.119 USER MOD Single : A 38 SER OG : rot -115:sc= -0.437! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= -0.594 (180deg=-1.36) USER MOD Single : A 53 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.45) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 148:sc= -7.49! (180deg=-9.07!) USER MOD Single : A 61 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.11) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.817 K(o=-0.82,f=-1.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.898 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -11.4! C(o=-11!,f=-18!) USER MOD Single : A 86 SER OG : rot 170:sc= -3.39! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -101:sc= 0.202! USER MOD Single : A 105 HIS : no HD1:sc=-0.00225 X(o=-0.0023,f=-0.3) USER MOD Single : A 106 TYR OH : rot 174:sc= -4.15! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -8.006 -13.282 15.563 1.00 1.00 N ATOM 2 CA GLU A 1 -8.440 -12.364 16.602 1.00 1.00 C ATOM 3 C GLU A 1 -8.078 -10.926 16.224 1.00 1.00 C ATOM 4 O GLU A 1 -7.390 -10.695 15.230 1.00 1.00 O ATOM 5 CB GLU A 1 -7.837 -12.743 17.956 1.00 1.00 C ATOM 6 CG GLU A 1 -8.927 -13.168 18.942 1.00 1.00 C ATOM 7 CD GLU A 1 -8.320 -13.604 20.277 1.00 1.00 C ATOM 8 OE1 GLU A 1 -7.173 -13.183 20.542 1.00 1.00 O ATOM 9 OE2 GLU A 1 -9.016 -14.349 21.000 1.00 1.00 O ATOM 0 H1 GLU A 1 -8.150 -14.261 15.883 1.00 1.00 H new ATOM 0 H2 GLU A 1 -8.560 -13.115 14.699 1.00 1.00 H new ATOM 0 H3 GLU A 1 -6.997 -13.128 15.363 1.00 1.00 H new ATOM 0 HA GLU A 1 -9.524 -12.434 16.692 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -7.123 -13.556 17.825 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -7.285 -11.896 18.362 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -9.617 -12.340 19.105 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -9.507 -13.987 18.517 1.00 1.00 H new ATOM 16 N LYS A 2 -8.557 -9.995 17.036 1.00 1.00 N ATOM 17 CA LYS A 2 -8.292 -8.587 16.800 1.00 1.00 C ATOM 18 C LYS A 2 -6.841 -8.414 16.346 1.00 1.00 C ATOM 19 O LYS A 2 -5.924 -8.940 16.974 1.00 1.00 O ATOM 20 CB LYS A 2 -8.653 -7.759 18.035 1.00 1.00 C ATOM 21 CG LYS A 2 -9.960 -8.250 18.662 1.00 1.00 C ATOM 22 CD LYS A 2 -10.627 -7.140 19.478 1.00 1.00 C ATOM 23 CE LYS A 2 -12.043 -7.542 19.893 1.00 1.00 C ATOM 24 NZ LYS A 2 -12.104 -7.793 21.352 1.00 1.00 N ATOM 0 H LYS A 2 -9.128 -10.189 17.859 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.925 -8.210 15.996 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -7.848 -7.822 18.767 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -8.750 -6.709 17.758 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -10.639 -8.589 17.879 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.760 -9.108 19.304 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -10.031 -6.927 20.365 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.663 -6.223 18.890 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -12.745 -6.753 19.624 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -12.347 -8.437 19.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -13.072 -8.065 21.617 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -11.448 -8.561 21.600 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -11.834 -6.929 21.864 1.00 1.00 H new ATOM 38 N PRO A 3 -6.675 -7.656 15.229 1.00 1.00 N ATOM 39 CA PRO A 3 -5.351 -7.407 14.684 1.00 1.00 C ATOM 40 C PRO A 3 -4.591 -6.385 15.534 1.00 1.00 C ATOM 41 O PRO A 3 -5.186 -5.694 16.358 1.00 1.00 O ATOM 42 CB PRO A 3 -5.595 -6.932 13.261 1.00 1.00 C ATOM 43 CG PRO A 3 -7.048 -6.489 13.212 1.00 1.00 C ATOM 44 CD PRO A 3 -7.738 -7.017 14.459 1.00 1.00 C ATOM 0 HA PRO A 3 -4.719 -8.295 14.691 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -4.927 -6.110 13.004 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -5.406 -7.732 12.545 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -7.114 -5.402 13.170 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -7.534 -6.873 12.315 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -8.206 -6.211 15.024 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -8.525 -7.727 14.205 1.00 1.00 H new ATOM 52 N ALA A 4 -3.288 -6.324 15.302 1.00 1.00 N ATOM 53 CA ALA A 4 -2.441 -5.399 16.035 1.00 1.00 C ATOM 54 C ALA A 4 -3.054 -3.999 15.978 1.00 1.00 C ATOM 55 O ALA A 4 -3.593 -3.595 14.949 1.00 1.00 O ATOM 56 CB ALA A 4 -1.023 -5.440 15.461 1.00 1.00 C ATOM 0 H ALA A 4 -2.798 -6.900 14.617 1.00 1.00 H new ATOM 0 HA ALA A 4 -2.375 -5.687 17.084 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -0.388 -4.746 16.011 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -0.622 -6.450 15.553 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -1.048 -5.154 14.410 1.00 1.00 H new ATOM 62 N ALA A 5 -2.949 -3.295 17.096 1.00 1.00 N ATOM 63 CA ALA A 5 -3.486 -1.948 17.186 1.00 1.00 C ATOM 64 C ALA A 5 -2.486 -0.964 16.576 1.00 1.00 C ATOM 65 O ALA A 5 -2.727 0.243 16.563 1.00 1.00 O ATOM 66 CB ALA A 5 -3.808 -1.622 18.646 1.00 1.00 C ATOM 0 H ALA A 5 -2.500 -3.633 17.947 1.00 1.00 H new ATOM 0 HA ALA A 5 -4.415 -1.867 16.622 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -4.211 -0.611 18.713 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -4.544 -2.332 19.023 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -2.899 -1.690 19.243 1.00 1.00 H new ATOM 72 N CYS A 6 -1.385 -1.515 16.086 1.00 1.00 N ATOM 73 CA CYS A 6 -0.348 -0.700 15.477 1.00 1.00 C ATOM 74 C CYS A 6 -0.777 -0.369 14.046 1.00 1.00 C ATOM 75 O CYS A 6 -0.079 0.356 13.337 1.00 1.00 O ATOM 76 CB CYS A 6 1.014 -1.396 15.517 1.00 1.00 C ATOM 77 SG CYS A 6 1.938 -1.183 17.083 1.00 1.00 S ATOM 0 H CYS A 6 -1.189 -2.516 16.098 1.00 1.00 H new ATOM 0 HA CYS A 6 -0.228 0.224 16.043 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.867 -2.461 15.340 1.00 1.00 H new ATOM 0 HB3 CYS A 6 1.624 -1.018 14.697 1.00 1.00 H new ATOM 82 N ARG A 7 -1.921 -0.914 13.663 1.00 1.00 N ATOM 83 CA ARG A 7 -2.451 -0.686 12.330 1.00 1.00 C ATOM 84 C ARG A 7 -3.825 -0.017 12.412 1.00 1.00 C ATOM 85 O ARG A 7 -4.415 0.324 11.388 1.00 1.00 O ATOM 86 CB ARG A 7 -2.576 -1.999 11.554 1.00 1.00 C ATOM 87 CG ARG A 7 -1.270 -2.794 11.608 1.00 1.00 C ATOM 88 CD ARG A 7 -1.506 -4.197 12.168 1.00 1.00 C ATOM 89 NE ARG A 7 -1.136 -5.214 11.159 1.00 1.00 N ATOM 90 CZ ARG A 7 -1.702 -6.426 11.070 1.00 1.00 C ATOM 91 NH1 ARG A 7 -2.668 -6.779 11.929 1.00 1.00 N ATOM 92 NH2 ARG A 7 -1.304 -7.284 10.120 1.00 1.00 N ATOM 0 H ARG A 7 -2.497 -1.514 14.253 1.00 1.00 H new ATOM 0 HA ARG A 7 -1.755 -0.032 11.805 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.387 -2.596 11.971 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -2.836 -1.789 10.516 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -0.842 -2.865 10.608 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -0.545 -2.268 12.229 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -0.916 -4.340 13.073 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -2.553 -4.314 12.448 1.00 1.00 H new ATOM 0 HE ARG A 7 -0.404 -4.978 10.489 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -2.973 -6.126 12.651 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -3.099 -7.701 11.861 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -0.570 -7.015 9.465 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -1.735 -8.206 10.053 1.00 1.00 H new ATOM 106 N CYS A 8 -4.293 0.151 13.639 1.00 1.00 N ATOM 107 CA CYS A 8 -5.586 0.773 13.869 1.00 1.00 C ATOM 108 C CYS A 8 -5.352 2.179 14.423 1.00 1.00 C ATOM 109 O CYS A 8 -6.081 3.112 14.090 1.00 1.00 O ATOM 110 CB CYS A 8 -6.462 -0.069 14.798 1.00 1.00 C ATOM 111 SG CYS A 8 -6.216 -1.877 14.657 1.00 1.00 S ATOM 0 H CYS A 8 -3.800 -0.133 14.486 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.131 0.842 12.928 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.267 0.231 15.828 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -7.508 0.158 14.592 1.00 1.00 H new ATOM 116 N SER A 9 -4.330 2.288 15.261 1.00 1.00 N ATOM 117 CA SER A 9 -3.990 3.564 15.866 1.00 1.00 C ATOM 118 C SER A 9 -4.393 4.709 14.933 1.00 1.00 C ATOM 119 O SER A 9 -3.541 5.324 14.295 1.00 1.00 O ATOM 120 CB SER A 9 -2.496 3.642 16.185 1.00 1.00 C ATOM 121 OG SER A 9 -1.712 3.890 15.021 1.00 1.00 O ATOM 0 H SER A 9 -3.727 1.512 15.535 1.00 1.00 H new ATOM 0 HA SER A 9 -4.539 3.655 16.803 1.00 1.00 H new ATOM 0 HB2 SER A 9 -2.322 4.433 16.914 1.00 1.00 H new ATOM 0 HB3 SER A 9 -2.175 2.708 16.646 1.00 1.00 H new ATOM 0 HG SER A 9 -1.987 4.739 14.617 1.00 1.00 H new ATOM 127 N ARG A 10 -5.694 4.960 14.885 1.00 1.00 N ATOM 128 CA ARG A 10 -6.221 6.019 14.041 1.00 1.00 C ATOM 129 C ARG A 10 -5.484 6.046 12.700 1.00 1.00 C ATOM 130 O ARG A 10 -5.411 7.086 12.048 1.00 1.00 O ATOM 131 CB ARG A 10 -6.081 7.383 14.719 1.00 1.00 C ATOM 132 CG ARG A 10 -7.054 8.398 14.116 1.00 1.00 C ATOM 133 CD ARG A 10 -7.147 9.653 14.984 1.00 1.00 C ATOM 134 NE ARG A 10 -6.188 10.672 14.506 1.00 1.00 N ATOM 135 CZ ARG A 10 -4.900 10.725 14.874 1.00 1.00 C ATOM 136 NH1 ARG A 10 -4.411 9.816 15.728 1.00 1.00 N ATOM 137 NH2 ARG A 10 -4.103 11.687 14.389 1.00 1.00 N ATOM 0 H ARG A 10 -6.398 4.448 15.417 1.00 1.00 H new ATOM 0 HA ARG A 10 -7.279 5.815 13.874 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -6.271 7.283 15.788 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -5.059 7.744 14.609 1.00 1.00 H new ATOM 0 HG2 ARG A 10 -6.726 8.669 13.113 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -8.041 7.946 14.017 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -8.161 10.053 14.952 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -6.936 9.402 16.024 1.00 1.00 H new ATOM 0 HE ARG A 10 -6.528 11.380 13.855 1.00 1.00 H new ATOM 0 HH11 ARG A 10 -5.018 9.085 16.097 1.00 1.00 H new ATOM 0 HH12 ARG A 10 -3.431 9.855 16.009 1.00 1.00 H new ATOM 0 HH21 ARG A 10 -4.476 12.379 13.740 1.00 1.00 H new ATOM 0 HH22 ARG A 10 -3.123 11.727 14.669 1.00 1.00 H new ATOM 151 N GLN A 11 -4.957 4.888 12.328 1.00 1.00 N ATOM 152 CA GLN A 11 -4.229 4.766 11.077 1.00 1.00 C ATOM 153 C GLN A 11 -3.571 6.098 10.712 1.00 1.00 C ATOM 154 O GLN A 11 -2.508 6.432 11.233 1.00 1.00 O ATOM 155 CB GLN A 11 -5.147 4.283 9.953 1.00 1.00 C ATOM 156 CG GLN A 11 -5.187 2.754 9.895 1.00 1.00 C ATOM 157 CD GLN A 11 -6.414 2.210 10.631 1.00 1.00 C ATOM 158 OE1 GLN A 11 -7.268 2.946 11.097 1.00 1.00 O ATOM 159 NE2 GLN A 11 -6.453 0.884 10.709 1.00 1.00 N ATOM 0 H GLN A 11 -5.020 4.027 12.871 1.00 1.00 H new ATOM 0 HA GLN A 11 -3.445 4.020 11.208 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -6.154 4.671 10.109 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -4.798 4.678 8.999 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -5.207 2.426 8.856 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -4.280 2.346 10.341 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -5.705 0.327 10.297 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -7.231 0.424 11.181 1.00 1.00 H new ATOM 168 N ASP A 12 -4.231 6.824 9.821 1.00 1.00 N ATOM 169 CA ASP A 12 -3.724 8.112 9.381 1.00 1.00 C ATOM 170 C ASP A 12 -4.861 9.136 9.399 1.00 1.00 C ATOM 171 O ASP A 12 -6.018 8.788 9.173 1.00 1.00 O ATOM 172 CB ASP A 12 -3.182 8.032 7.953 1.00 1.00 C ATOM 173 CG ASP A 12 -2.269 9.189 7.542 1.00 1.00 C ATOM 174 OD1 ASP A 12 -2.824 10.261 7.213 1.00 1.00 O ATOM 175 OD2 ASP A 12 -1.038 8.977 7.564 1.00 1.00 O ATOM 0 H ASP A 12 -5.113 6.544 9.392 1.00 1.00 H new ATOM 0 HA ASP A 12 -2.920 8.406 10.056 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -2.632 7.098 7.841 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.024 7.991 7.262 1.00 1.00 H new ATOM 180 N PRO A 13 -4.481 10.412 9.678 1.00 1.00 N ATOM 181 CA PRO A 13 -5.455 11.489 9.729 1.00 1.00 C ATOM 182 C PRO A 13 -5.900 11.891 8.321 1.00 1.00 C ATOM 183 O PRO A 13 -5.260 12.721 7.678 1.00 1.00 O ATOM 184 CB PRO A 13 -4.759 12.615 10.477 1.00 1.00 C ATOM 185 CG PRO A 13 -3.272 12.302 10.409 1.00 1.00 C ATOM 186 CD PRO A 13 -3.119 10.861 9.951 1.00 1.00 C ATOM 0 HA PRO A 13 -6.375 11.201 10.238 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -4.976 13.581 10.020 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -5.101 12.667 11.511 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -2.771 12.978 9.716 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -2.807 12.444 11.385 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -2.494 10.793 9.061 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -2.647 10.249 10.720 1.00 1.00 H new ATOM 194 N LYS A 14 -6.995 11.286 7.885 1.00 1.00 N ATOM 195 CA LYS A 14 -7.533 11.571 6.567 1.00 1.00 C ATOM 196 C LYS A 14 -7.014 10.531 5.573 1.00 1.00 C ATOM 197 O LYS A 14 -6.221 10.853 4.689 1.00 1.00 O ATOM 198 CB LYS A 14 -7.226 13.015 6.163 1.00 1.00 C ATOM 199 CG LYS A 14 -7.632 13.992 7.269 1.00 1.00 C ATOM 200 CD LYS A 14 -6.662 15.174 7.338 1.00 1.00 C ATOM 201 CE LYS A 14 -6.258 15.466 8.785 1.00 1.00 C ATOM 202 NZ LYS A 14 -6.903 16.709 9.262 1.00 1.00 N ATOM 0 H LYS A 14 -7.524 10.599 8.422 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.620 11.491 6.574 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -6.161 13.119 5.953 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -7.757 13.260 5.243 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -8.643 14.356 7.085 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.650 13.475 8.228 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -5.774 14.956 6.745 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.127 16.057 6.901 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -6.546 14.632 9.425 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -5.174 15.562 8.854 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -6.618 16.893 10.245 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -6.608 17.506 8.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -7.937 16.604 9.215 1.00 1.00 H new ATOM 216 N ASN A 15 -7.485 9.304 5.749 1.00 1.00 N ATOM 217 CA ASN A 15 -7.078 8.215 4.878 1.00 1.00 C ATOM 218 C ASN A 15 -8.064 7.055 5.026 1.00 1.00 C ATOM 219 O ASN A 15 -8.424 6.412 4.040 1.00 1.00 O ATOM 220 CB ASN A 15 -5.686 7.702 5.252 1.00 1.00 C ATOM 221 CG ASN A 15 -4.645 8.818 5.150 1.00 1.00 C ATOM 222 OD1 ASN A 15 -4.684 9.687 6.155 1.00 1.00 O flip ATOM 223 ND2 ASN A 15 -3.858 8.885 4.220 1.00 1.00 N flip ATOM 0 H ASN A 15 -8.144 9.041 6.482 1.00 1.00 H new ATOM 0 HA ASN A 15 -7.062 8.589 3.854 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -5.701 7.306 6.267 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -5.408 6.879 4.593 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -3.882 8.184 3.480 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -3.176 9.642 4.183 1.00 1.00 H new ATOM 230 N ARG A 16 -8.475 6.822 6.265 1.00 1.00 N ATOM 231 CA ARG A 16 -9.413 5.751 6.554 1.00 1.00 C ATOM 232 C ARG A 16 -10.489 5.682 5.469 1.00 1.00 C ATOM 233 O ARG A 16 -11.275 6.615 5.310 1.00 1.00 O ATOM 234 CB ARG A 16 -10.080 5.956 7.915 1.00 1.00 C ATOM 235 CG ARG A 16 -9.034 6.115 9.020 1.00 1.00 C ATOM 236 CD ARG A 16 -9.676 6.627 10.312 1.00 1.00 C ATOM 237 NE ARG A 16 -8.932 7.803 10.815 1.00 1.00 N ATOM 238 CZ ARG A 16 -8.904 8.993 10.201 1.00 1.00 C ATOM 239 NH1 ARG A 16 -9.579 9.173 9.056 1.00 1.00 N ATOM 240 NH2 ARG A 16 -8.202 10.004 10.729 1.00 1.00 N ATOM 0 H ARG A 16 -8.175 7.357 7.080 1.00 1.00 H new ATOM 0 HA ARG A 16 -8.854 4.816 6.575 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -10.717 6.840 7.882 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -10.725 5.107 8.139 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -8.547 5.157 9.206 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -8.259 6.809 8.695 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -10.716 6.895 10.129 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -9.678 5.838 11.064 1.00 1.00 H new ATOM 0 HE ARG A 16 -8.408 7.701 11.684 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -10.114 8.404 8.653 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -9.558 10.079 8.588 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -7.688 9.868 11.599 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -8.181 10.910 10.261 1.00 1.00 H new ATOM 254 N VAL A 17 -10.492 4.567 4.752 1.00 1.00 N ATOM 255 CA VAL A 17 -11.460 4.365 3.689 1.00 1.00 C ATOM 256 C VAL A 17 -12.502 3.340 4.141 1.00 1.00 C ATOM 257 O VAL A 17 -13.080 2.632 3.318 1.00 1.00 O ATOM 258 CB VAL A 17 -10.743 3.958 2.399 1.00 1.00 C ATOM 259 CG1 VAL A 17 -11.651 4.151 1.183 1.00 1.00 C ATOM 260 CG2 VAL A 17 -9.433 4.731 2.234 1.00 1.00 C ATOM 0 H VAL A 17 -9.839 3.795 4.887 1.00 1.00 H new ATOM 0 HA VAL A 17 -11.989 5.293 3.473 1.00 1.00 H new ATOM 0 HB VAL A 17 -10.500 2.898 2.470 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -11.118 3.855 0.280 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -12.544 3.537 1.295 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -11.939 5.200 1.107 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -8.943 4.424 1.310 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -9.644 5.800 2.195 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -8.778 4.521 3.079 1.00 1.00 H new ATOM 270 N ASN A 18 -12.710 3.292 5.449 1.00 1.00 N ATOM 271 CA ASN A 18 -13.672 2.366 6.020 1.00 1.00 C ATOM 272 C ASN A 18 -13.330 0.942 5.576 1.00 1.00 C ATOM 273 O ASN A 18 -12.736 0.745 4.518 1.00 1.00 O ATOM 274 CB ASN A 18 -15.091 2.681 5.544 1.00 1.00 C ATOM 275 CG ASN A 18 -16.042 2.854 6.729 1.00 1.00 C ATOM 276 OD1 ASN A 18 -15.734 2.516 7.861 1.00 1.00 O ATOM 277 ND2 ASN A 18 -17.213 3.397 6.409 1.00 1.00 N ATOM 0 H ASN A 18 -12.228 3.880 6.129 1.00 1.00 H new ATOM 0 HA ASN A 18 -13.626 2.461 7.105 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -15.083 3.591 4.944 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -15.449 1.878 4.900 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -17.917 3.553 7.130 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -17.407 3.657 5.442 1.00 1.00 H new ATOM 284 N CYS A 19 -13.718 -0.012 6.408 1.00 1.00 N ATOM 285 CA CYS A 19 -13.460 -1.411 6.114 1.00 1.00 C ATOM 286 C CYS A 19 -14.684 -2.226 6.539 1.00 1.00 C ATOM 287 O CYS A 19 -14.625 -3.453 6.605 1.00 1.00 O ATOM 288 CB CYS A 19 -12.182 -1.906 6.794 1.00 1.00 C ATOM 289 SG CYS A 19 -11.778 -3.664 6.485 1.00 1.00 S ATOM 0 H CYS A 19 -14.209 0.156 7.286 1.00 1.00 H new ATOM 0 HA CYS A 19 -13.296 -1.535 5.044 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -11.347 -1.292 6.457 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -12.277 -1.753 7.869 1.00 1.00 H new ATOM 294 N GLY A 20 -15.764 -1.510 6.816 1.00 1.00 N ATOM 295 CA GLY A 20 -17.000 -2.151 7.232 1.00 1.00 C ATOM 296 C GLY A 20 -18.216 -1.350 6.765 1.00 1.00 C ATOM 297 O GLY A 20 -18.230 -0.828 5.651 1.00 1.00 O ATOM 0 H GLY A 20 -15.809 -0.492 6.761 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -17.046 -3.160 6.823 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -17.017 -2.246 8.318 1.00 1.00 H new ATOM 301 N PHE A 21 -19.210 -1.279 7.639 1.00 1.00 N ATOM 302 CA PHE A 21 -20.429 -0.552 7.330 1.00 1.00 C ATOM 303 C PHE A 21 -20.693 0.541 8.368 1.00 1.00 C ATOM 304 O PHE A 21 -20.145 0.502 9.468 1.00 1.00 O ATOM 305 CB PHE A 21 -21.576 -1.563 7.368 1.00 1.00 C ATOM 306 CG PHE A 21 -21.476 -2.574 8.512 1.00 1.00 C ATOM 307 CD1 PHE A 21 -20.557 -3.575 8.457 1.00 1.00 C ATOM 308 CD2 PHE A 21 -22.307 -2.472 9.584 1.00 1.00 C ATOM 309 CE1 PHE A 21 -20.465 -4.514 9.518 1.00 1.00 C ATOM 310 CE2 PHE A 21 -22.214 -3.410 10.646 1.00 1.00 C ATOM 311 CZ PHE A 21 -21.295 -4.411 10.591 1.00 1.00 C ATOM 0 H PHE A 21 -19.195 -1.714 8.562 1.00 1.00 H new ATOM 0 HA PHE A 21 -20.340 -0.075 6.354 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -22.519 -1.024 7.455 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -21.603 -2.102 6.421 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -19.897 -3.656 7.606 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -23.037 -1.678 9.627 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -19.736 -5.310 9.473 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -22.873 -3.328 11.498 1.00 1.00 H new ATOM 0 HZ PHE A 21 -21.224 -5.124 11.399 1.00 1.00 H new ATOM 321 N PRO A 22 -21.555 1.515 7.970 1.00 1.00 N ATOM 322 CA PRO A 22 -21.900 2.616 8.854 1.00 1.00 C ATOM 323 C PRO A 22 -22.865 2.160 9.949 1.00 1.00 C ATOM 324 O PRO A 22 -24.033 1.884 9.677 1.00 1.00 O ATOM 325 CB PRO A 22 -22.492 3.679 7.944 1.00 1.00 C ATOM 326 CG PRO A 22 -22.886 2.961 6.664 1.00 1.00 C ATOM 327 CD PRO A 22 -22.224 1.593 6.675 1.00 1.00 C ATOM 0 HA PRO A 22 -21.038 3.008 9.394 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -23.357 4.152 8.408 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -21.767 4.468 7.742 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -23.969 2.860 6.601 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -22.567 3.532 5.792 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -22.959 0.796 6.561 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -21.513 1.491 5.855 1.00 1.00 H new ATOM 335 N GLY A 23 -22.342 2.093 11.165 1.00 1.00 N ATOM 336 CA GLY A 23 -23.145 1.674 12.302 1.00 1.00 C ATOM 337 C GLY A 23 -22.511 0.473 13.007 1.00 1.00 C ATOM 338 O GLY A 23 -22.876 0.148 14.136 1.00 1.00 O ATOM 0 H GLY A 23 -21.373 2.322 11.388 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -23.247 2.501 13.005 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -24.149 1.415 11.967 1.00 1.00 H new ATOM 342 N ILE A 24 -21.573 -0.153 12.311 1.00 1.00 N ATOM 343 CA ILE A 24 -20.885 -1.311 12.858 1.00 1.00 C ATOM 344 C ILE A 24 -20.559 -1.058 14.331 1.00 1.00 C ATOM 345 O ILE A 24 -20.528 0.088 14.775 1.00 1.00 O ATOM 346 CB ILE A 24 -19.661 -1.657 12.006 1.00 1.00 C ATOM 347 CG1 ILE A 24 -18.898 -2.843 12.600 1.00 1.00 C ATOM 348 CG2 ILE A 24 -18.761 -0.434 11.819 1.00 1.00 C ATOM 349 CD1 ILE A 24 -17.979 -3.482 11.557 1.00 1.00 C ATOM 0 H ILE A 24 -21.274 0.119 11.375 1.00 1.00 H new ATOM 0 HA ILE A 24 -21.529 -2.190 12.822 1.00 1.00 H new ATOM 0 HB ILE A 24 -20.007 -1.958 11.017 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -18.308 -2.510 13.454 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -19.605 -3.585 12.971 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -17.899 -0.706 11.210 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -19.321 0.357 11.321 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.421 -0.080 12.792 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -17.449 -4.322 12.005 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -18.575 -3.836 10.716 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -17.258 -2.744 11.206 1.00 1.00 H new ATOM 361 N THR A 25 -20.325 -2.148 15.047 1.00 1.00 N ATOM 362 CA THR A 25 -20.003 -2.059 16.461 1.00 1.00 C ATOM 363 C THR A 25 -18.485 -2.032 16.661 1.00 1.00 C ATOM 364 O THR A 25 -17.843 -1.011 16.425 1.00 1.00 O ATOM 365 CB THR A 25 -20.689 -3.223 17.176 1.00 1.00 C ATOM 366 OG1 THR A 25 -20.014 -4.379 16.686 1.00 1.00 O ATOM 367 CG2 THR A 25 -22.137 -3.418 16.723 1.00 1.00 C ATOM 0 H THR A 25 -20.352 -3.097 14.674 1.00 1.00 H new ATOM 0 HA THR A 25 -20.373 -1.130 16.894 1.00 1.00 H new ATOM 0 HB THR A 25 -20.665 -3.051 18.252 1.00 1.00 H new ATOM 0 HG1 THR A 25 -20.396 -5.181 17.100 1.00 1.00 H new ATOM 0 HG21 THR A 25 -22.577 -4.257 17.262 1.00 1.00 H new ATOM 0 HG22 THR A 25 -22.708 -2.513 16.931 1.00 1.00 H new ATOM 0 HG23 THR A 25 -22.159 -3.623 15.653 1.00 1.00 H new ATOM 375 N SER A 26 -17.958 -3.168 17.095 1.00 1.00 N ATOM 376 CA SER A 26 -16.530 -3.286 17.330 1.00 1.00 C ATOM 377 C SER A 26 -16.076 -4.725 17.077 1.00 1.00 C ATOM 378 O SER A 26 -15.358 -4.994 16.114 1.00 1.00 O ATOM 379 CB SER A 26 -16.168 -2.858 18.754 1.00 1.00 C ATOM 380 OG SER A 26 -16.888 -3.600 19.734 1.00 1.00 O ATOM 0 H SER A 26 -18.494 -4.014 17.290 1.00 1.00 H new ATOM 0 HA SER A 26 -16.013 -2.621 16.638 1.00 1.00 H new ATOM 0 HB2 SER A 26 -15.098 -2.992 18.912 1.00 1.00 H new ATOM 0 HB3 SER A 26 -16.378 -1.796 18.878 1.00 1.00 H new ATOM 0 HG SER A 26 -16.628 -3.298 20.629 1.00 1.00 H new ATOM 386 N ASP A 27 -16.512 -5.613 17.959 1.00 1.00 N ATOM 387 CA ASP A 27 -16.159 -7.018 17.843 1.00 1.00 C ATOM 388 C ASP A 27 -16.246 -7.442 16.376 1.00 1.00 C ATOM 389 O ASP A 27 -15.248 -7.856 15.785 1.00 1.00 O ATOM 390 CB ASP A 27 -17.123 -7.895 18.645 1.00 1.00 C ATOM 391 CG ASP A 27 -17.051 -7.713 20.163 1.00 1.00 C ATOM 392 OD1 ASP A 27 -17.793 -6.841 20.664 1.00 1.00 O ATOM 393 OD2 ASP A 27 -16.257 -8.450 20.787 1.00 1.00 O ATOM 0 H ASP A 27 -17.106 -5.387 18.757 1.00 1.00 H new ATOM 0 HA ASP A 27 -15.148 -7.145 18.229 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -18.141 -7.685 18.317 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -16.922 -8.940 18.409 1.00 1.00 H new ATOM 398 N GLN A 28 -17.446 -7.325 15.828 1.00 1.00 N ATOM 399 CA GLN A 28 -17.675 -7.690 14.441 1.00 1.00 C ATOM 400 C GLN A 28 -16.649 -7.006 13.535 1.00 1.00 C ATOM 401 O GLN A 28 -16.310 -7.525 12.473 1.00 1.00 O ATOM 402 CB GLN A 28 -19.102 -7.346 14.011 1.00 1.00 C ATOM 403 CG GLN A 28 -20.128 -8.091 14.867 1.00 1.00 C ATOM 404 CD GLN A 28 -20.035 -9.602 14.642 1.00 1.00 C ATOM 405 OE1 GLN A 28 -19.157 -10.278 15.152 1.00 1.00 O ATOM 406 NE2 GLN A 28 -20.987 -10.091 13.853 1.00 1.00 N ATOM 0 H GLN A 28 -18.271 -6.982 16.320 1.00 1.00 H new ATOM 0 HA GLN A 28 -17.553 -8.769 14.345 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -19.263 -6.271 14.098 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -19.242 -7.605 12.962 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -19.961 -7.865 15.920 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -21.132 -7.744 14.622 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -21.692 -9.468 13.459 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -21.012 -11.089 13.642 1.00 1.00 H new ATOM 415 N CYS A 29 -16.184 -5.851 13.988 1.00 1.00 N ATOM 416 CA CYS A 29 -15.205 -5.089 13.233 1.00 1.00 C ATOM 417 C CYS A 29 -13.814 -5.640 13.558 1.00 1.00 C ATOM 418 O CYS A 29 -12.951 -5.711 12.684 1.00 1.00 O ATOM 419 CB CYS A 29 -15.306 -3.591 13.521 1.00 1.00 C ATOM 420 SG CYS A 29 -14.390 -2.520 12.354 1.00 1.00 S ATOM 0 H CYS A 29 -16.468 -5.424 14.870 1.00 1.00 H new ATOM 0 HA CYS A 29 -15.400 -5.199 12.166 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -16.357 -3.303 13.507 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.937 -3.404 14.530 1.00 1.00 H new ATOM 425 N PHE A 30 -13.641 -6.015 14.817 1.00 1.00 N ATOM 426 CA PHE A 30 -12.370 -6.557 15.267 1.00 1.00 C ATOM 427 C PHE A 30 -12.335 -8.078 15.109 1.00 1.00 C ATOM 428 O PHE A 30 -11.675 -8.771 15.880 1.00 1.00 O ATOM 429 CB PHE A 30 -12.237 -6.208 16.752 1.00 1.00 C ATOM 430 CG PHE A 30 -11.631 -4.828 17.014 1.00 1.00 C ATOM 431 CD1 PHE A 30 -10.456 -4.477 16.423 1.00 1.00 C ATOM 432 CD2 PHE A 30 -12.264 -3.953 17.838 1.00 1.00 C ATOM 433 CE1 PHE A 30 -9.894 -3.197 16.667 1.00 1.00 C ATOM 434 CE2 PHE A 30 -11.702 -2.671 18.082 1.00 1.00 C ATOM 435 CZ PHE A 30 -10.529 -2.321 17.491 1.00 1.00 C ATOM 0 H PHE A 30 -14.359 -5.954 15.539 1.00 1.00 H new ATOM 0 HA PHE A 30 -11.556 -6.138 14.675 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -13.222 -6.255 17.216 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -11.620 -6.963 17.238 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -9.952 -5.173 15.769 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -13.195 -4.232 18.308 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -8.962 -2.918 16.198 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -12.206 -1.975 18.736 1.00 1.00 H new ATOM 0 HZ PHE A 30 -10.101 -1.347 17.676 1.00 1.00 H new ATOM 445 N THR A 31 -13.054 -8.553 14.102 1.00 1.00 N ATOM 446 CA THR A 31 -13.114 -9.979 13.832 1.00 1.00 C ATOM 447 C THR A 31 -11.828 -10.446 13.147 1.00 1.00 C ATOM 448 O THR A 31 -11.813 -11.485 12.489 1.00 1.00 O ATOM 449 CB THR A 31 -14.375 -10.252 13.009 1.00 1.00 C ATOM 450 OG1 THR A 31 -15.436 -9.765 13.827 1.00 1.00 O ATOM 451 CG2 THR A 31 -14.670 -11.747 12.868 1.00 1.00 C ATOM 0 H THR A 31 -13.600 -7.975 13.463 1.00 1.00 H new ATOM 0 HA THR A 31 -13.181 -10.554 14.755 1.00 1.00 H new ATOM 0 HB THR A 31 -14.265 -9.809 12.019 1.00 1.00 H new ATOM 0 HG1 THR A 31 -15.086 -9.099 14.455 1.00 1.00 H new ATOM 0 HG21 THR A 31 -15.575 -11.885 12.276 1.00 1.00 H new ATOM 0 HG22 THR A 31 -13.833 -12.238 12.372 1.00 1.00 H new ATOM 0 HG23 THR A 31 -14.813 -12.184 13.856 1.00 1.00 H new ATOM 459 N SER A 32 -10.780 -9.655 13.323 1.00 1.00 N ATOM 460 CA SER A 32 -9.493 -9.974 12.731 1.00 1.00 C ATOM 461 C SER A 32 -9.494 -9.601 11.246 1.00 1.00 C ATOM 462 O SER A 32 -8.500 -9.807 10.551 1.00 1.00 O ATOM 463 CB SER A 32 -9.158 -11.457 12.906 1.00 1.00 C ATOM 464 OG SER A 32 -9.706 -11.989 14.109 1.00 1.00 O ATOM 0 H SER A 32 -10.796 -8.793 13.868 1.00 1.00 H new ATOM 0 HA SER A 32 -8.727 -9.394 13.245 1.00 1.00 H new ATOM 0 HB2 SER A 32 -9.541 -12.018 12.054 1.00 1.00 H new ATOM 0 HB3 SER A 32 -8.076 -11.586 12.912 1.00 1.00 H new ATOM 0 HG SER A 32 -10.192 -12.816 13.909 1.00 1.00 H new ATOM 470 N GLY A 33 -10.619 -9.060 10.806 1.00 1.00 N ATOM 471 CA GLY A 33 -10.762 -8.657 9.417 1.00 1.00 C ATOM 472 C GLY A 33 -10.456 -7.168 9.244 1.00 1.00 C ATOM 473 O GLY A 33 -9.667 -6.790 8.379 1.00 1.00 O ATOM 0 H GLY A 33 -11.441 -8.891 11.386 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -10.089 -9.245 8.793 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -11.776 -8.865 9.077 1.00 1.00 H new ATOM 477 N CYS A 34 -11.095 -6.363 10.081 1.00 1.00 N ATOM 478 CA CYS A 34 -10.900 -4.925 10.031 1.00 1.00 C ATOM 479 C CYS A 34 -10.608 -4.430 11.449 1.00 1.00 C ATOM 480 O CYS A 34 -10.646 -5.208 12.402 1.00 1.00 O ATOM 481 CB CYS A 34 -12.107 -4.212 9.416 1.00 1.00 C ATOM 482 SG CYS A 34 -12.643 -4.871 7.795 1.00 1.00 S ATOM 0 H CYS A 34 -11.748 -6.680 10.797 1.00 1.00 H new ATOM 0 HA CYS A 34 -10.054 -4.693 9.384 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -12.943 -4.276 10.113 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -11.867 -3.155 9.301 1.00 1.00 H new ATOM 487 N CYS A 35 -10.322 -3.140 11.544 1.00 1.00 N ATOM 488 CA CYS A 35 -10.023 -2.532 12.830 1.00 1.00 C ATOM 489 C CYS A 35 -11.152 -1.561 13.177 1.00 1.00 C ATOM 490 O CYS A 35 -11.943 -1.189 12.311 1.00 1.00 O ATOM 491 CB CYS A 35 -8.657 -1.842 12.826 1.00 1.00 C ATOM 492 SG CYS A 35 -7.266 -2.890 13.388 1.00 1.00 S ATOM 0 H CYS A 35 -10.291 -2.499 10.752 1.00 1.00 H new ATOM 0 HA CYS A 35 -9.963 -3.306 13.595 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -8.445 -1.493 11.815 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -8.709 -0.960 13.464 1.00 1.00 H new ATOM 497 N PHE A 36 -11.192 -1.178 14.444 1.00 1.00 N ATOM 498 CA PHE A 36 -12.212 -0.256 14.916 1.00 1.00 C ATOM 499 C PHE A 36 -11.652 0.679 15.991 1.00 1.00 C ATOM 500 O PHE A 36 -11.467 0.272 17.137 1.00 1.00 O ATOM 501 CB PHE A 36 -13.331 -1.102 15.526 1.00 1.00 C ATOM 502 CG PHE A 36 -14.473 -0.282 16.130 1.00 1.00 C ATOM 503 CD1 PHE A 36 -15.149 0.612 15.361 1.00 1.00 C ATOM 504 CD2 PHE A 36 -14.810 -0.446 17.438 1.00 1.00 C ATOM 505 CE1 PHE A 36 -16.208 1.373 15.921 1.00 1.00 C ATOM 506 CE2 PHE A 36 -15.869 0.316 17.999 1.00 1.00 C ATOM 507 CZ PHE A 36 -16.546 1.209 17.228 1.00 1.00 C ATOM 0 H PHE A 36 -10.535 -1.489 15.159 1.00 1.00 H new ATOM 0 HA PHE A 36 -12.570 0.358 14.089 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.737 -1.759 14.756 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.908 -1.742 16.300 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.880 0.743 14.323 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -14.272 -1.155 18.049 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -16.745 2.082 15.309 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -16.137 0.187 19.037 1.00 1.00 H new ATOM 0 HZ PHE A 36 -17.352 1.788 17.654 1.00 1.00 H new ATOM 517 N ASP A 37 -11.396 1.913 15.580 1.00 1.00 N ATOM 518 CA ASP A 37 -10.860 2.907 16.494 1.00 1.00 C ATOM 519 C ASP A 37 -12.001 3.788 17.008 1.00 1.00 C ATOM 520 O ASP A 37 -12.264 3.831 18.209 1.00 1.00 O ATOM 521 CB ASP A 37 -9.846 3.811 15.790 1.00 1.00 C ATOM 522 CG ASP A 37 -9.689 5.205 16.401 1.00 1.00 C ATOM 523 OD1 ASP A 37 -10.706 5.717 16.916 1.00 1.00 O ATOM 524 OD2 ASP A 37 -8.555 5.727 16.339 1.00 1.00 O ATOM 0 H ASP A 37 -11.550 2.246 14.628 1.00 1.00 H new ATOM 0 HA ASP A 37 -10.369 2.382 17.313 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -8.875 3.316 15.797 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -10.141 3.919 14.746 1.00 1.00 H new ATOM 529 N SER A 38 -12.648 4.469 16.074 1.00 1.00 N ATOM 530 CA SER A 38 -13.754 5.346 16.416 1.00 1.00 C ATOM 531 C SER A 38 -13.282 6.428 17.389 1.00 1.00 C ATOM 532 O SER A 38 -13.623 6.398 18.571 1.00 1.00 O ATOM 533 CB SER A 38 -14.915 4.555 17.026 1.00 1.00 C ATOM 534 OG SER A 38 -14.490 3.299 17.547 1.00 1.00 O ATOM 0 H SER A 38 -12.427 4.431 15.079 1.00 1.00 H new ATOM 0 HA SER A 38 -14.111 5.819 15.501 1.00 1.00 H new ATOM 0 HB2 SER A 38 -15.374 5.141 17.822 1.00 1.00 H new ATOM 0 HB3 SER A 38 -15.681 4.392 16.268 1.00 1.00 H new ATOM 0 HG SER A 38 -14.906 2.575 17.034 1.00 1.00 H new ATOM 540 N GLN A 39 -12.505 7.359 16.857 1.00 1.00 N ATOM 541 CA GLN A 39 -11.982 8.449 17.662 1.00 1.00 C ATOM 542 C GLN A 39 -12.212 9.788 16.958 1.00 1.00 C ATOM 543 O GLN A 39 -11.907 10.844 17.509 1.00 1.00 O ATOM 544 CB GLN A 39 -10.498 8.240 17.971 1.00 1.00 C ATOM 545 CG GLN A 39 -10.314 7.381 19.222 1.00 1.00 C ATOM 546 CD GLN A 39 -9.016 7.741 19.949 1.00 1.00 C ATOM 547 OE1 GLN A 39 -9.016 8.280 21.044 1.00 1.00 O ATOM 548 NE2 GLN A 39 -7.913 7.413 19.281 1.00 1.00 N ATOM 0 H GLN A 39 -12.225 7.381 15.877 1.00 1.00 H new ATOM 0 HA GLN A 39 -12.519 8.463 18.611 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.010 7.761 17.122 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -10.013 9.206 18.114 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -11.162 7.522 19.892 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.299 6.327 18.945 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -7.984 6.964 18.368 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -6.996 7.611 19.682 1.00 1.00 H new ATOM 557 N VAL A 40 -12.749 9.700 15.749 1.00 1.00 N ATOM 558 CA VAL A 40 -13.023 10.891 14.964 1.00 1.00 C ATOM 559 C VAL A 40 -14.483 10.869 14.506 1.00 1.00 C ATOM 560 O VAL A 40 -14.891 9.978 13.763 1.00 1.00 O ATOM 561 CB VAL A 40 -12.034 10.991 13.802 1.00 1.00 C ATOM 562 CG1 VAL A 40 -12.552 11.944 12.722 1.00 1.00 C ATOM 563 CG2 VAL A 40 -10.651 11.421 14.295 1.00 1.00 C ATOM 0 H VAL A 40 -13.001 8.822 15.295 1.00 1.00 H new ATOM 0 HA VAL A 40 -12.885 11.787 15.569 1.00 1.00 H new ATOM 0 HB VAL A 40 -11.938 10.001 13.357 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -11.830 11.997 11.907 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -13.505 11.577 12.340 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -12.691 12.937 13.149 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -9.967 11.484 13.449 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -10.723 12.396 14.777 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -10.276 10.689 15.011 1.00 1.00 H new ATOM 573 N PRO A 41 -15.251 11.887 14.982 1.00 1.00 N ATOM 574 CA PRO A 41 -16.656 11.993 14.629 1.00 1.00 C ATOM 575 C PRO A 41 -16.825 12.490 13.191 1.00 1.00 C ATOM 576 O PRO A 41 -16.992 13.687 12.961 1.00 1.00 O ATOM 577 CB PRO A 41 -17.250 12.939 15.658 1.00 1.00 C ATOM 578 CG PRO A 41 -16.073 13.690 16.262 1.00 1.00 C ATOM 579 CD PRO A 41 -14.802 12.960 15.863 1.00 1.00 C ATOM 0 HA PRO A 41 -17.168 11.031 14.650 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -17.956 13.628 15.194 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -17.797 12.389 16.424 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -16.051 14.719 15.903 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -16.164 13.733 17.347 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -14.106 13.626 15.353 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -14.282 12.564 16.736 1.00 1.00 H new ATOM 587 N GLY A 42 -16.775 11.546 12.263 1.00 1.00 N ATOM 588 CA GLY A 42 -16.920 11.873 10.854 1.00 1.00 C ATOM 589 C GLY A 42 -16.277 10.801 9.973 1.00 1.00 C ATOM 590 O GLY A 42 -16.958 10.156 9.176 1.00 1.00 O ATOM 0 H GLY A 42 -16.636 10.555 12.459 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -17.977 11.967 10.606 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -16.458 12.840 10.652 1.00 1.00 H new ATOM 594 N VAL A 43 -14.974 10.642 10.145 1.00 1.00 N ATOM 595 CA VAL A 43 -14.231 9.658 9.376 1.00 1.00 C ATOM 596 C VAL A 43 -14.747 8.258 9.713 1.00 1.00 C ATOM 597 O VAL A 43 -15.523 8.088 10.653 1.00 1.00 O ATOM 598 CB VAL A 43 -12.731 9.820 9.629 1.00 1.00 C ATOM 599 CG1 VAL A 43 -12.258 11.224 9.248 1.00 1.00 C ATOM 600 CG2 VAL A 43 -12.383 9.500 11.083 1.00 1.00 C ATOM 0 H VAL A 43 -14.412 11.178 10.806 1.00 1.00 H new ATOM 0 HA VAL A 43 -14.385 9.812 8.308 1.00 1.00 H new ATOM 0 HB VAL A 43 -12.206 9.107 8.994 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -11.188 11.312 9.438 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -12.454 11.400 8.190 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -12.794 11.963 9.844 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -11.311 9.623 11.236 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -12.924 10.177 11.744 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -12.666 8.471 11.307 1.00 1.00 H new ATOM 610 N PRO A 44 -14.285 7.265 8.906 1.00 1.00 N ATOM 611 CA PRO A 44 -14.691 5.885 9.109 1.00 1.00 C ATOM 612 C PRO A 44 -13.983 5.278 10.322 1.00 1.00 C ATOM 613 O PRO A 44 -12.760 5.138 10.324 1.00 1.00 O ATOM 614 CB PRO A 44 -14.352 5.179 7.807 1.00 1.00 C ATOM 615 CG PRO A 44 -13.349 6.074 7.097 1.00 1.00 C ATOM 616 CD PRO A 44 -13.367 7.430 7.783 1.00 1.00 C ATOM 0 HA PRO A 44 -15.753 5.788 9.333 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -13.930 4.192 7.996 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -15.244 5.032 7.198 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -12.351 5.638 7.140 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -13.607 6.176 6.043 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -12.372 7.715 8.124 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -13.708 8.212 7.105 1.00 1.00 H new ATOM 624 N TRP A 45 -14.780 4.933 11.322 1.00 1.00 N ATOM 625 CA TRP A 45 -14.245 4.344 12.537 1.00 1.00 C ATOM 626 C TRP A 45 -13.707 2.954 12.191 1.00 1.00 C ATOM 627 O TRP A 45 -12.592 2.603 12.575 1.00 1.00 O ATOM 628 CB TRP A 45 -15.299 4.318 13.645 1.00 1.00 C ATOM 629 CG TRP A 45 -15.905 5.688 13.960 1.00 1.00 C ATOM 630 CD1 TRP A 45 -15.558 6.879 13.454 1.00 1.00 C ATOM 631 CD2 TRP A 45 -16.986 5.959 14.877 1.00 1.00 C ATOM 632 NE1 TRP A 45 -16.332 7.894 13.977 1.00 1.00 N ATOM 633 CE2 TRP A 45 -17.228 7.318 14.869 1.00 1.00 C ATOM 634 CE3 TRP A 45 -17.734 5.086 15.686 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -18.218 7.925 15.651 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -18.720 5.708 16.462 1.00 1.00 C ATOM 637 CH2 TRP A 45 -18.976 7.073 16.465 1.00 1.00 C ATOM 0 H TRP A 45 -15.793 5.050 11.316 1.00 1.00 H new ATOM 0 HA TRP A 45 -13.426 4.947 12.929 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -16.099 3.636 13.356 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -14.848 3.914 14.552 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -14.772 7.026 12.728 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -16.260 8.886 13.750 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -17.562 4.020 15.707 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -18.388 8.991 15.628 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -19.324 5.082 17.103 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -19.757 7.476 17.093 1.00 1.00 H new ATOM 648 N CYS A 46 -14.524 2.201 11.470 1.00 1.00 N ATOM 649 CA CYS A 46 -14.144 0.857 11.069 1.00 1.00 C ATOM 650 C CYS A 46 -13.376 0.949 9.748 1.00 1.00 C ATOM 651 O CYS A 46 -13.967 1.194 8.698 1.00 1.00 O ATOM 652 CB CYS A 46 -15.360 -0.065 10.957 1.00 1.00 C ATOM 653 SG CYS A 46 -15.821 -0.916 12.510 1.00 1.00 S ATOM 0 H CYS A 46 -15.448 2.496 11.153 1.00 1.00 H new ATOM 0 HA CYS A 46 -13.503 0.415 11.832 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -16.212 0.521 10.613 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -15.160 -0.816 10.193 1.00 1.00 H new ATOM 658 N PHE A 47 -12.070 0.750 9.845 1.00 1.00 N ATOM 659 CA PHE A 47 -11.215 0.808 8.672 1.00 1.00 C ATOM 660 C PHE A 47 -10.369 -0.461 8.547 1.00 1.00 C ATOM 661 O PHE A 47 -10.596 -1.436 9.262 1.00 1.00 O ATOM 662 CB PHE A 47 -10.285 2.009 8.855 1.00 1.00 C ATOM 663 CG PHE A 47 -9.830 2.231 10.299 1.00 1.00 C ATOM 664 CD1 PHE A 47 -9.231 1.221 10.985 1.00 1.00 C ATOM 665 CD2 PHE A 47 -10.025 3.437 10.896 1.00 1.00 C ATOM 666 CE1 PHE A 47 -8.808 1.426 12.325 1.00 1.00 C ATOM 667 CE2 PHE A 47 -9.602 3.642 12.237 1.00 1.00 C ATOM 668 CZ PHE A 47 -9.003 2.632 12.923 1.00 1.00 C ATOM 0 H PHE A 47 -11.583 0.548 10.718 1.00 1.00 H new ATOM 0 HA PHE A 47 -11.824 0.898 7.772 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -9.406 1.874 8.225 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -10.794 2.906 8.504 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -9.077 0.263 10.511 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -10.501 4.239 10.351 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.331 0.624 12.869 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -9.756 4.600 12.711 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.682 2.787 13.942 1.00 1.00 H new ATOM 678 N LYS A 48 -9.411 -0.408 7.633 1.00 1.00 N ATOM 679 CA LYS A 48 -8.531 -1.541 7.405 1.00 1.00 C ATOM 680 C LYS A 48 -7.449 -1.567 8.487 1.00 1.00 C ATOM 681 O LYS A 48 -7.048 -0.521 8.994 1.00 1.00 O ATOM 682 CB LYS A 48 -7.974 -1.509 5.981 1.00 1.00 C ATOM 683 CG LYS A 48 -8.791 -0.568 5.093 1.00 1.00 C ATOM 684 CD LYS A 48 -8.189 0.838 5.082 1.00 1.00 C ATOM 685 CE LYS A 48 -7.344 1.063 3.828 1.00 1.00 C ATOM 686 NZ LYS A 48 -8.088 1.877 2.841 1.00 1.00 N ATOM 0 H LYS A 48 -9.225 0.402 7.042 1.00 1.00 H new ATOM 0 HA LYS A 48 -9.086 -2.476 7.485 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -6.934 -1.184 6.001 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -7.986 -2.514 5.559 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -8.825 -0.960 4.077 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -9.819 -0.524 5.453 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -8.987 1.579 5.125 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -7.573 0.981 5.970 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -6.414 1.564 4.094 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -7.074 0.103 3.387 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -7.428 2.510 2.345 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -8.550 1.250 2.152 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -8.809 2.444 3.331 1.00 1.00 H new ATOM 700 N PRO A 49 -6.996 -2.807 8.818 1.00 1.00 N ATOM 701 CA PRO A 49 -5.970 -2.982 9.831 1.00 1.00 C ATOM 702 C PRO A 49 -4.593 -2.585 9.292 1.00 1.00 C ATOM 703 O PRO A 49 -3.632 -3.344 9.414 1.00 1.00 O ATOM 704 CB PRO A 49 -6.053 -4.448 10.225 1.00 1.00 C ATOM 705 CG PRO A 49 -6.799 -5.141 9.097 1.00 1.00 C ATOM 706 CD PRO A 49 -7.448 -4.068 8.239 1.00 1.00 C ATOM 0 HA PRO A 49 -6.122 -2.340 10.699 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -5.058 -4.874 10.355 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -6.578 -4.569 11.173 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -6.114 -5.744 8.501 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -7.554 -5.818 9.498 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -7.143 -4.157 7.196 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -8.535 -4.147 8.261 1.00 1.00 H new ATOM 714 N LEU A 50 -4.543 -1.398 8.706 1.00 1.00 N ATOM 715 CA LEU A 50 -3.301 -0.891 8.149 1.00 1.00 C ATOM 716 C LEU A 50 -2.205 -1.946 8.313 1.00 1.00 C ATOM 717 O LEU A 50 -1.238 -1.733 9.043 1.00 1.00 O ATOM 718 CB LEU A 50 -2.948 0.463 8.766 1.00 1.00 C ATOM 719 CG LEU A 50 -2.356 1.502 7.812 1.00 1.00 C ATOM 720 CD1 LEU A 50 -2.635 2.923 8.307 1.00 1.00 C ATOM 721 CD2 LEU A 50 -0.863 1.254 7.590 1.00 1.00 C ATOM 0 H LEU A 50 -5.343 -0.773 8.605 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.411 -0.708 7.080 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.849 0.882 9.213 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.238 0.297 9.576 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.847 1.397 6.844 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -2.203 3.642 7.611 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -3.712 3.081 8.371 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -2.189 3.059 9.292 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -0.467 2.006 6.908 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -0.338 1.316 8.543 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -0.719 0.263 7.160 1.00 1.00 H new ATOM 733 N PRO A 51 -2.397 -3.091 7.605 1.00 1.00 N ATOM 734 CA PRO A 51 -1.437 -4.180 7.666 1.00 1.00 C ATOM 735 C PRO A 51 -0.182 -3.848 6.857 1.00 1.00 C ATOM 736 O PRO A 51 -0.106 -2.797 6.223 1.00 1.00 O ATOM 737 CB PRO A 51 -2.182 -5.393 7.136 1.00 1.00 C ATOM 738 CG PRO A 51 -3.375 -4.846 6.367 1.00 1.00 C ATOM 739 CD PRO A 51 -3.530 -3.379 6.730 1.00 1.00 C ATOM 0 HA PRO A 51 -1.074 -4.365 8.677 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -1.542 -5.993 6.489 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -2.506 -6.040 7.952 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -3.222 -4.960 5.294 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -4.279 -5.400 6.621 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -3.515 -2.748 5.842 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -4.478 -3.194 7.236 1.00 1.00 H new ATOM 747 N ALA A 52 0.773 -4.767 6.903 1.00 1.00 N ATOM 748 CA ALA A 52 2.021 -4.586 6.182 1.00 1.00 C ATOM 749 C ALA A 52 2.725 -5.938 6.042 1.00 1.00 C ATOM 750 O ALA A 52 2.084 -6.985 6.111 1.00 1.00 O ATOM 751 CB ALA A 52 2.885 -3.551 6.906 1.00 1.00 C ATOM 0 H ALA A 52 0.707 -5.639 7.429 1.00 1.00 H new ATOM 0 HA ALA A 52 1.832 -4.207 5.178 1.00 1.00 H new ATOM 0 HB1 ALA A 52 3.821 -3.416 6.364 1.00 1.00 H new ATOM 0 HB2 ALA A 52 2.352 -2.601 6.953 1.00 1.00 H new ATOM 0 HB3 ALA A 52 3.098 -3.898 7.917 1.00 1.00 H new ATOM 757 N GLN A 53 4.033 -5.870 5.847 1.00 1.00 N ATOM 758 CA GLN A 53 4.831 -7.075 5.697 1.00 1.00 C ATOM 759 C GLN A 53 4.315 -8.173 6.630 1.00 1.00 C ATOM 760 O GLN A 53 3.593 -7.892 7.586 1.00 1.00 O ATOM 761 CB GLN A 53 6.311 -6.789 5.955 1.00 1.00 C ATOM 762 CG GLN A 53 6.898 -5.902 4.854 1.00 1.00 C ATOM 763 CD GLN A 53 6.713 -6.543 3.477 1.00 1.00 C ATOM 764 OE1 GLN A 53 5.811 -6.211 2.726 1.00 1.00 O ATOM 765 NE2 GLN A 53 7.615 -7.477 3.190 1.00 1.00 N ATOM 0 H GLN A 53 4.561 -4.999 5.789 1.00 1.00 H new ATOM 0 HA GLN A 53 4.736 -7.424 4.669 1.00 1.00 H new ATOM 0 HB2 GLN A 53 6.427 -6.300 6.922 1.00 1.00 H new ATOM 0 HB3 GLN A 53 6.863 -7.727 6.004 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.414 -4.925 4.872 1.00 1.00 H new ATOM 0 HG3 GLN A 53 7.959 -5.736 5.042 1.00 1.00 H new ATOM 0 HE21 GLN A 53 8.344 -7.706 3.865 1.00 1.00 H new ATOM 0 HE22 GLN A 53 7.577 -7.964 2.295 1.00 1.00 H new ATOM 774 N GLU A 54 4.705 -9.400 6.320 1.00 1.00 N ATOM 775 CA GLU A 54 4.291 -10.542 7.119 1.00 1.00 C ATOM 776 C GLU A 54 4.614 -10.302 8.595 1.00 1.00 C ATOM 777 O GLU A 54 4.118 -11.014 9.466 1.00 1.00 O ATOM 778 CB GLU A 54 4.946 -11.829 6.616 1.00 1.00 C ATOM 779 CG GLU A 54 4.550 -12.117 5.167 1.00 1.00 C ATOM 780 CD GLU A 54 4.603 -13.618 4.871 1.00 1.00 C ATOM 781 OE1 GLU A 54 5.488 -14.280 5.454 1.00 1.00 O ATOM 782 OE2 GLU A 54 3.756 -14.068 4.070 1.00 1.00 O ATOM 0 H GLU A 54 5.303 -9.629 5.526 1.00 1.00 H new ATOM 0 HA GLU A 54 3.212 -10.660 7.018 1.00 1.00 H new ATOM 0 HB2 GLU A 54 6.030 -11.742 6.690 1.00 1.00 H new ATOM 0 HB3 GLU A 54 4.649 -12.664 7.250 1.00 1.00 H new ATOM 0 HG2 GLU A 54 3.544 -11.741 4.980 1.00 1.00 H new ATOM 0 HG3 GLU A 54 5.220 -11.586 4.491 1.00 1.00 H new ATOM 789 N SER A 55 5.442 -9.296 8.830 1.00 1.00 N ATOM 790 CA SER A 55 5.838 -8.953 10.185 1.00 1.00 C ATOM 791 C SER A 55 4.631 -8.426 10.965 1.00 1.00 C ATOM 792 O SER A 55 3.549 -8.266 10.404 1.00 1.00 O ATOM 793 CB SER A 55 6.964 -7.917 10.186 1.00 1.00 C ATOM 794 OG SER A 55 8.008 -8.262 9.281 1.00 1.00 O ATOM 0 H SER A 55 5.850 -8.707 8.104 1.00 1.00 H new ATOM 0 HA SER A 55 6.211 -9.855 10.670 1.00 1.00 H new ATOM 0 HB2 SER A 55 6.559 -6.941 9.917 1.00 1.00 H new ATOM 0 HB3 SER A 55 7.372 -7.826 11.193 1.00 1.00 H new ATOM 0 HG SER A 55 8.706 -7.575 9.310 1.00 1.00 H new ATOM 800 N GLU A 56 4.859 -8.173 12.245 1.00 1.00 N ATOM 801 CA GLU A 56 3.804 -7.667 13.107 1.00 1.00 C ATOM 802 C GLU A 56 4.392 -6.766 14.194 1.00 1.00 C ATOM 803 O GLU A 56 4.538 -7.184 15.342 1.00 1.00 O ATOM 804 CB GLU A 56 3.001 -8.816 13.723 1.00 1.00 C ATOM 805 CG GLU A 56 1.676 -9.017 12.985 1.00 1.00 C ATOM 806 CD GLU A 56 1.248 -10.485 13.015 1.00 1.00 C ATOM 807 OE1 GLU A 56 1.720 -11.232 12.131 1.00 1.00 O ATOM 808 OE2 GLU A 56 0.458 -10.827 13.922 1.00 1.00 O ATOM 0 H GLU A 56 5.759 -8.309 12.706 1.00 1.00 H new ATOM 0 HA GLU A 56 3.121 -7.073 12.501 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.586 -9.735 13.684 1.00 1.00 H new ATOM 0 HB3 GLU A 56 2.807 -8.606 14.775 1.00 1.00 H new ATOM 0 HG2 GLU A 56 0.903 -8.400 13.443 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.777 -8.685 11.952 1.00 1.00 H new ATOM 815 N GLU A 57 4.714 -5.544 13.794 1.00 1.00 N ATOM 816 CA GLU A 57 5.283 -4.580 14.720 1.00 1.00 C ATOM 817 C GLU A 57 5.930 -3.425 13.953 1.00 1.00 C ATOM 818 O GLU A 57 6.034 -2.314 14.469 1.00 1.00 O ATOM 819 CB GLU A 57 6.293 -5.248 15.656 1.00 1.00 C ATOM 820 CG GLU A 57 7.194 -6.218 14.888 1.00 1.00 C ATOM 821 CD GLU A 57 8.486 -6.493 15.661 1.00 1.00 C ATOM 822 OE1 GLU A 57 9.318 -5.562 15.726 1.00 1.00 O ATOM 823 OE2 GLU A 57 8.612 -7.629 16.169 1.00 1.00 O ATOM 0 H GLU A 57 4.592 -5.200 12.842 1.00 1.00 H new ATOM 0 HA GLU A 57 4.477 -4.178 15.334 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.903 -4.486 16.142 1.00 1.00 H new ATOM 0 HB3 GLU A 57 5.764 -5.784 16.445 1.00 1.00 H new ATOM 0 HG2 GLU A 57 6.663 -7.154 14.715 1.00 1.00 H new ATOM 0 HG3 GLU A 57 7.433 -5.801 13.909 1.00 1.00 H new ATOM 830 N CYS A 58 6.346 -3.727 12.731 1.00 1.00 N ATOM 831 CA CYS A 58 6.978 -2.728 11.887 1.00 1.00 C ATOM 832 C CYS A 58 5.880 -1.909 11.206 1.00 1.00 C ATOM 833 O CYS A 58 6.168 -1.032 10.394 1.00 1.00 O ATOM 834 CB CYS A 58 7.928 -3.365 10.871 1.00 1.00 C ATOM 835 SG CYS A 58 9.229 -4.428 11.597 1.00 1.00 S ATOM 0 H CYS A 58 6.257 -4.650 12.306 1.00 1.00 H new ATOM 0 HA CYS A 58 7.594 -2.069 12.499 1.00 1.00 H new ATOM 0 HB2 CYS A 58 7.342 -3.960 10.170 1.00 1.00 H new ATOM 0 HB3 CYS A 58 8.406 -2.572 10.295 1.00 1.00 H new ATOM 840 N VAL A 59 4.644 -2.225 11.563 1.00 1.00 N ATOM 841 CA VAL A 59 3.500 -1.529 10.997 1.00 1.00 C ATOM 842 C VAL A 59 3.390 -0.141 11.628 1.00 1.00 C ATOM 843 O VAL A 59 3.197 -0.018 12.837 1.00 1.00 O ATOM 844 CB VAL A 59 2.235 -2.370 11.176 1.00 1.00 C ATOM 845 CG1 VAL A 59 1.211 -2.060 10.081 1.00 1.00 C ATOM 846 CG2 VAL A 59 2.569 -3.863 11.207 1.00 1.00 C ATOM 0 H VAL A 59 4.409 -2.954 12.237 1.00 1.00 H new ATOM 0 HA VAL A 59 3.631 -1.388 9.924 1.00 1.00 H new ATOM 0 HB VAL A 59 1.790 -2.106 12.135 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.321 -2.671 10.231 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.939 -1.005 10.125 1.00 1.00 H new ATOM 0 HG13 VAL A 59 1.643 -2.282 9.105 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.652 -4.438 11.335 1.00 1.00 H new ATOM 0 HG22 VAL A 59 3.048 -4.148 10.271 1.00 1.00 H new ATOM 0 HG23 VAL A 59 3.245 -4.067 12.037 1.00 1.00 H new ATOM 856 N MET A 60 3.516 0.872 10.782 1.00 1.00 N ATOM 857 CA MET A 60 3.433 2.247 11.243 1.00 1.00 C ATOM 858 C MET A 60 3.045 3.186 10.098 1.00 1.00 C ATOM 859 O MET A 60 3.008 2.776 8.939 1.00 1.00 O ATOM 860 CB MET A 60 4.784 2.675 11.818 1.00 1.00 C ATOM 861 CG MET A 60 5.345 1.604 12.756 1.00 1.00 C ATOM 862 SD MET A 60 6.847 2.188 13.523 1.00 1.00 S ATOM 863 CE MET A 60 8.051 1.559 12.365 1.00 1.00 C ATOM 0 H MET A 60 3.675 0.767 9.780 1.00 1.00 H new ATOM 0 HA MET A 60 2.665 2.307 12.014 1.00 1.00 H new ATOM 0 HB2 MET A 60 5.488 2.857 11.006 1.00 1.00 H new ATOM 0 HB3 MET A 60 4.672 3.615 12.359 1.00 1.00 H new ATOM 0 HG2 MET A 60 4.609 1.357 13.521 1.00 1.00 H new ATOM 0 HG3 MET A 60 5.544 0.689 12.198 1.00 1.00 H new ATOM 0 HE1 MET A 60 8.904 2.237 12.323 1.00 1.00 H new ATOM 0 HE2 MET A 60 8.386 0.573 12.688 1.00 1.00 H new ATOM 0 HE3 MET A 60 7.599 1.482 11.376 1.00 1.00 H new ATOM 873 N GLN A 61 2.766 4.428 10.464 1.00 1.00 N ATOM 874 CA GLN A 61 2.382 5.428 9.482 1.00 1.00 C ATOM 875 C GLN A 61 3.625 6.035 8.828 1.00 1.00 C ATOM 876 O GLN A 61 4.722 5.952 9.377 1.00 1.00 O ATOM 877 CB GLN A 61 1.512 6.515 10.118 1.00 1.00 C ATOM 878 CG GLN A 61 0.416 5.898 10.992 1.00 1.00 C ATOM 879 CD GLN A 61 0.315 6.623 12.335 1.00 1.00 C ATOM 880 OE1 GLN A 61 -0.243 7.702 12.448 1.00 1.00 O ATOM 881 NE2 GLN A 61 0.884 5.970 13.345 1.00 1.00 N ATOM 0 H GLN A 61 2.798 4.765 11.426 1.00 1.00 H new ATOM 0 HA GLN A 61 1.790 4.940 8.708 1.00 1.00 H new ATOM 0 HB2 GLN A 61 2.134 7.177 10.721 1.00 1.00 H new ATOM 0 HB3 GLN A 61 1.059 7.126 9.338 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -0.541 5.951 10.473 1.00 1.00 H new ATOM 0 HG3 GLN A 61 0.630 4.842 11.159 1.00 1.00 H new ATOM 0 HE21 GLN A 61 1.335 5.070 13.181 1.00 1.00 H new ATOM 0 HE22 GLN A 61 0.870 6.370 14.283 1.00 1.00 H new ATOM 890 N VAL A 62 3.411 6.631 7.665 1.00 1.00 N ATOM 891 CA VAL A 62 4.501 7.251 6.930 1.00 1.00 C ATOM 892 C VAL A 62 5.312 8.135 7.879 1.00 1.00 C ATOM 893 O VAL A 62 6.533 8.008 7.959 1.00 1.00 O ATOM 894 CB VAL A 62 3.950 8.016 5.725 1.00 1.00 C ATOM 895 CG1 VAL A 62 2.893 7.192 4.988 1.00 1.00 C ATOM 896 CG2 VAL A 62 3.389 9.375 6.149 1.00 1.00 C ATOM 0 H VAL A 62 2.499 6.698 7.213 1.00 1.00 H new ATOM 0 HA VAL A 62 5.177 6.492 6.536 1.00 1.00 H new ATOM 0 HB VAL A 62 4.775 8.194 5.036 1.00 1.00 H new ATOM 0 HG11 VAL A 62 2.518 7.759 4.136 1.00 1.00 H new ATOM 0 HG12 VAL A 62 3.337 6.261 4.637 1.00 1.00 H new ATOM 0 HG13 VAL A 62 2.069 6.968 5.665 1.00 1.00 H new ATOM 0 HG21 VAL A 62 3.004 9.899 5.274 1.00 1.00 H new ATOM 0 HG22 VAL A 62 2.583 9.228 6.868 1.00 1.00 H new ATOM 0 HG23 VAL A 62 4.180 9.968 6.608 1.00 1.00 H new ATOM 906 N SER A 63 4.601 9.009 8.576 1.00 1.00 N ATOM 907 CA SER A 63 5.240 9.913 9.517 1.00 1.00 C ATOM 908 C SER A 63 5.899 9.115 10.643 1.00 1.00 C ATOM 909 O SER A 63 6.844 9.588 11.273 1.00 1.00 O ATOM 910 CB SER A 63 4.233 10.911 10.092 1.00 1.00 C ATOM 911 OG SER A 63 4.795 12.214 10.233 1.00 1.00 O ATOM 0 H SER A 63 3.588 9.110 8.508 1.00 1.00 H new ATOM 0 HA SER A 63 6.005 10.477 8.984 1.00 1.00 H new ATOM 0 HB2 SER A 63 3.360 10.961 9.441 1.00 1.00 H new ATOM 0 HB3 SER A 63 3.887 10.558 11.063 1.00 1.00 H new ATOM 0 HG SER A 63 4.121 12.823 10.601 1.00 1.00 H new ATOM 917 N ALA A 64 5.375 7.918 10.864 1.00 1.00 N ATOM 918 CA ALA A 64 5.901 7.050 11.903 1.00 1.00 C ATOM 919 C ALA A 64 7.260 6.502 11.465 1.00 1.00 C ATOM 920 O ALA A 64 8.257 6.671 12.167 1.00 1.00 O ATOM 921 CB ALA A 64 4.892 5.940 12.199 1.00 1.00 C ATOM 0 H ALA A 64 4.591 7.529 10.340 1.00 1.00 H new ATOM 0 HA ALA A 64 6.054 7.607 12.828 1.00 1.00 H new ATOM 0 HB1 ALA A 64 5.286 5.288 12.979 1.00 1.00 H new ATOM 0 HB2 ALA A 64 3.954 6.381 12.535 1.00 1.00 H new ATOM 0 HB3 ALA A 64 4.716 5.358 11.294 1.00 1.00 H new ATOM 927 N ARG A 65 7.258 5.857 10.308 1.00 1.00 N ATOM 928 CA ARG A 65 8.478 5.283 9.768 1.00 1.00 C ATOM 929 C ARG A 65 9.563 6.356 9.652 1.00 1.00 C ATOM 930 O ARG A 65 9.393 7.341 8.937 1.00 1.00 O ATOM 931 CB ARG A 65 8.233 4.665 8.390 1.00 1.00 C ATOM 932 CG ARG A 65 7.069 3.673 8.432 1.00 1.00 C ATOM 933 CD ARG A 65 6.049 3.977 7.332 1.00 1.00 C ATOM 934 NE ARG A 65 5.350 2.735 6.935 1.00 1.00 N ATOM 935 CZ ARG A 65 4.086 2.693 6.492 1.00 1.00 C ATOM 936 NH1 ARG A 65 3.374 3.824 6.389 1.00 1.00 N ATOM 937 NH2 ARG A 65 3.533 1.521 6.153 1.00 1.00 N ATOM 0 H ARG A 65 6.430 5.719 9.729 1.00 1.00 H new ATOM 0 HA ARG A 65 8.807 4.500 10.452 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.018 5.452 7.668 1.00 1.00 H new ATOM 0 HB3 ARG A 65 9.136 4.158 8.050 1.00 1.00 H new ATOM 0 HG2 ARG A 65 7.447 2.658 8.312 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.583 3.719 9.406 1.00 1.00 H new ATOM 0 HD2 ARG A 65 5.327 4.713 7.687 1.00 1.00 H new ATOM 0 HD3 ARG A 65 6.551 4.413 6.469 1.00 1.00 H new ATOM 0 HE ARG A 65 5.862 1.856 7.003 1.00 1.00 H new ATOM 0 HH11 ARG A 65 3.794 4.717 6.648 1.00 1.00 H new ATOM 0 HH12 ARG A 65 2.412 3.792 6.052 1.00 1.00 H new ATOM 0 HH21 ARG A 65 4.074 0.660 6.232 1.00 1.00 H new ATOM 0 HH22 ARG A 65 2.571 1.490 5.816 1.00 1.00 H new ATOM 951 N LYS A 66 10.654 6.127 10.369 1.00 1.00 N ATOM 952 CA LYS A 66 11.767 7.061 10.357 1.00 1.00 C ATOM 953 C LYS A 66 12.588 6.852 9.084 1.00 1.00 C ATOM 954 O LYS A 66 12.120 7.141 7.983 1.00 1.00 O ATOM 955 CB LYS A 66 12.585 6.938 11.643 1.00 1.00 C ATOM 956 CG LYS A 66 13.777 7.897 11.630 1.00 1.00 C ATOM 957 CD LYS A 66 13.503 9.125 12.500 1.00 1.00 C ATOM 958 CE LYS A 66 14.792 9.638 13.146 1.00 1.00 C ATOM 959 NZ LYS A 66 14.725 11.102 13.345 1.00 1.00 N ATOM 0 H LYS A 66 10.791 5.308 10.962 1.00 1.00 H new ATOM 0 HA LYS A 66 11.402 8.088 10.337 1.00 1.00 H new ATOM 0 HB2 LYS A 66 11.951 7.152 12.503 1.00 1.00 H new ATOM 0 HB3 LYS A 66 12.939 5.913 11.756 1.00 1.00 H new ATOM 0 HG2 LYS A 66 14.667 7.382 11.992 1.00 1.00 H new ATOM 0 HG3 LYS A 66 13.985 8.211 10.607 1.00 1.00 H new ATOM 0 HD2 LYS A 66 13.058 9.913 11.893 1.00 1.00 H new ATOM 0 HD3 LYS A 66 12.779 8.872 13.275 1.00 1.00 H new ATOM 0 HE2 LYS A 66 14.948 9.142 14.104 1.00 1.00 H new ATOM 0 HE3 LYS A 66 15.646 9.390 12.515 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 15.608 11.433 13.784 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 14.598 11.572 12.426 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 13.922 11.332 13.965 1.00 1.00 H new ATOM 973 N ASN A 67 13.800 6.352 9.275 1.00 1.00 N ATOM 974 CA ASN A 67 14.691 6.100 8.155 1.00 1.00 C ATOM 975 C ASN A 67 15.891 5.282 8.638 1.00 1.00 C ATOM 976 O ASN A 67 16.600 5.695 9.555 1.00 1.00 O ATOM 977 CB ASN A 67 15.218 7.410 7.565 1.00 1.00 C ATOM 978 CG ASN A 67 16.386 7.151 6.612 1.00 1.00 C ATOM 979 OD1 ASN A 67 17.482 6.796 7.012 1.00 1.00 O ATOM 980 ND2 ASN A 67 16.092 7.349 5.330 1.00 1.00 N ATOM 0 H ASN A 67 14.186 6.115 10.189 1.00 1.00 H new ATOM 0 HA ASN A 67 14.130 5.561 7.392 1.00 1.00 H new ATOM 0 HB2 ASN A 67 14.416 7.922 7.033 1.00 1.00 H new ATOM 0 HB3 ASN A 67 15.540 8.072 8.369 1.00 1.00 H new ATOM 0 HD21 ASN A 67 16.805 7.203 4.615 1.00 1.00 H new ATOM 0 HD22 ASN A 67 15.154 7.646 5.062 1.00 1.00 H new ATOM 987 N CYS A 68 16.082 4.137 7.998 1.00 1.00 N ATOM 988 CA CYS A 68 17.184 3.259 8.350 1.00 1.00 C ATOM 989 C CYS A 68 18.062 3.068 7.112 1.00 1.00 C ATOM 990 O CYS A 68 19.145 3.644 7.021 1.00 1.00 O ATOM 991 CB CYS A 68 16.686 1.923 8.908 1.00 1.00 C ATOM 992 SG CYS A 68 18.002 0.800 9.501 1.00 1.00 S ATOM 0 H CYS A 68 15.492 3.798 7.238 1.00 1.00 H new ATOM 0 HA CYS A 68 17.774 3.714 9.145 1.00 1.00 H new ATOM 0 HB2 CYS A 68 16.000 2.122 9.731 1.00 1.00 H new ATOM 0 HB3 CYS A 68 16.114 1.412 8.133 1.00 1.00 H new ATOM 997 N GLY A 69 17.562 2.258 6.190 1.00 1.00 N ATOM 998 CA GLY A 69 18.287 1.986 4.961 1.00 1.00 C ATOM 999 C GLY A 69 18.375 3.237 4.087 1.00 1.00 C ATOM 1000 O GLY A 69 18.345 4.358 4.594 1.00 1.00 O ATOM 0 H GLY A 69 16.664 1.782 6.270 1.00 1.00 H new ATOM 0 HA2 GLY A 69 19.291 1.632 5.198 1.00 1.00 H new ATOM 0 HA3 GLY A 69 17.789 1.188 4.410 1.00 1.00 H new ATOM 1004 N TYR A 70 18.483 3.006 2.786 1.00 1.00 N ATOM 1005 CA TYR A 70 18.575 4.102 1.836 1.00 1.00 C ATOM 1006 C TYR A 70 17.473 4.007 0.780 1.00 1.00 C ATOM 1007 O TYR A 70 16.888 2.943 0.583 1.00 1.00 O ATOM 1008 CB TYR A 70 19.936 3.953 1.152 1.00 1.00 C ATOM 1009 CG TYR A 70 20.015 2.779 0.173 1.00 1.00 C ATOM 1010 CD1 TYR A 70 19.489 2.903 -1.097 1.00 1.00 C ATOM 1011 CD2 TYR A 70 20.611 1.596 0.561 1.00 1.00 C ATOM 1012 CE1 TYR A 70 19.564 1.798 -2.017 1.00 1.00 C ATOM 1013 CE2 TYR A 70 20.685 0.492 -0.359 1.00 1.00 C ATOM 1014 CZ TYR A 70 20.158 0.647 -1.603 1.00 1.00 C ATOM 1015 OH TYR A 70 20.228 -0.396 -2.473 1.00 1.00 O ATOM 0 H TYR A 70 18.509 2.076 2.368 1.00 1.00 H new ATOM 0 HA TYR A 70 18.465 5.060 2.343 1.00 1.00 H new ATOM 0 HB2 TYR A 70 20.165 4.875 0.617 1.00 1.00 H new ATOM 0 HB3 TYR A 70 20.703 3.828 1.916 1.00 1.00 H new ATOM 0 HD1 TYR A 70 19.022 3.828 -1.400 1.00 1.00 H new ATOM 0 HD2 TYR A 70 21.022 1.499 1.555 1.00 1.00 H new ATOM 0 HE1 TYR A 70 19.157 1.881 -3.014 1.00 1.00 H new ATOM 0 HE2 TYR A 70 21.149 -0.439 -0.068 1.00 1.00 H new ATOM 0 HH TYR A 70 20.679 -1.152 -2.042 1.00 1.00 H new ATOM 1025 N PRO A 71 17.216 5.162 0.111 1.00 1.00 N ATOM 1026 CA PRO A 71 16.195 5.218 -0.921 1.00 1.00 C ATOM 1027 C PRO A 71 16.674 4.541 -2.206 1.00 1.00 C ATOM 1028 O PRO A 71 17.369 5.155 -3.014 1.00 1.00 O ATOM 1029 CB PRO A 71 15.902 6.699 -1.104 1.00 1.00 C ATOM 1030 CG PRO A 71 17.090 7.436 -0.510 1.00 1.00 C ATOM 1031 CD PRO A 71 17.890 6.441 0.317 1.00 1.00 C ATOM 0 HA PRO A 71 15.290 4.676 -0.646 1.00 1.00 H new ATOM 0 HB2 PRO A 71 15.778 6.945 -2.159 1.00 1.00 H new ATOM 0 HB3 PRO A 71 14.977 6.979 -0.600 1.00 1.00 H new ATOM 0 HG2 PRO A 71 17.709 7.861 -1.300 1.00 1.00 H new ATOM 0 HG3 PRO A 71 16.753 8.265 0.112 1.00 1.00 H new ATOM 0 HD2 PRO A 71 18.929 6.399 -0.010 1.00 1.00 H new ATOM 0 HD3 PRO A 71 17.899 6.719 1.371 1.00 1.00 H new ATOM 1039 N GLY A 72 16.283 3.283 -2.355 1.00 1.00 N ATOM 1040 CA GLY A 72 16.665 2.516 -3.528 1.00 1.00 C ATOM 1041 C GLY A 72 16.916 1.050 -3.167 1.00 1.00 C ATOM 1042 O GLY A 72 16.978 0.193 -4.045 1.00 1.00 O ATOM 0 H GLY A 72 15.706 2.777 -1.683 1.00 1.00 H new ATOM 0 HA2 GLY A 72 15.879 2.579 -4.280 1.00 1.00 H new ATOM 0 HA3 GLY A 72 17.564 2.945 -3.970 1.00 1.00 H new ATOM 1046 N ILE A 73 17.053 0.809 -1.871 1.00 1.00 N ATOM 1047 CA ILE A 73 17.294 -0.538 -1.382 1.00 1.00 C ATOM 1048 C ILE A 73 16.116 -1.435 -1.766 1.00 1.00 C ATOM 1049 O ILE A 73 15.057 -0.943 -2.152 1.00 1.00 O ATOM 1050 CB ILE A 73 17.588 -0.518 0.120 1.00 1.00 C ATOM 1051 CG1 ILE A 73 18.506 -1.677 0.514 1.00 1.00 C ATOM 1052 CG2 ILE A 73 16.292 -0.513 0.932 1.00 1.00 C ATOM 1053 CD1 ILE A 73 19.285 -1.350 1.789 1.00 1.00 C ATOM 0 H ILE A 73 17.002 1.524 -1.145 1.00 1.00 H new ATOM 0 HA ILE A 73 18.182 -0.960 -1.852 1.00 1.00 H new ATOM 0 HB ILE A 73 18.117 0.406 0.352 1.00 1.00 H new ATOM 0 HG12 ILE A 73 17.914 -2.579 0.667 1.00 1.00 H new ATOM 0 HG13 ILE A 73 19.202 -1.887 -0.298 1.00 1.00 H new ATOM 0 HG21 ILE A 73 16.529 -0.499 1.996 1.00 1.00 H new ATOM 0 HG22 ILE A 73 15.707 0.371 0.679 1.00 1.00 H new ATOM 0 HG23 ILE A 73 15.714 -1.408 0.701 1.00 1.00 H new ATOM 0 HD11 ILE A 73 19.930 -2.190 2.047 1.00 1.00 H new ATOM 0 HD12 ILE A 73 19.895 -0.462 1.625 1.00 1.00 H new ATOM 0 HD13 ILE A 73 18.586 -1.165 2.605 1.00 1.00 H new ATOM 1065 N SER A 74 16.341 -2.735 -1.649 1.00 1.00 N ATOM 1066 CA SER A 74 15.310 -3.706 -1.979 1.00 1.00 C ATOM 1067 C SER A 74 14.939 -4.518 -0.737 1.00 1.00 C ATOM 1068 O SER A 74 15.432 -4.247 0.357 1.00 1.00 O ATOM 1069 CB SER A 74 15.770 -4.636 -3.104 1.00 1.00 C ATOM 1070 OG SER A 74 16.915 -4.127 -3.783 1.00 1.00 O ATOM 0 H SER A 74 17.222 -3.139 -1.330 1.00 1.00 H new ATOM 0 HA SER A 74 14.430 -3.166 -2.328 1.00 1.00 H new ATOM 0 HB2 SER A 74 16.000 -5.618 -2.691 1.00 1.00 H new ATOM 0 HB3 SER A 74 14.957 -4.773 -3.817 1.00 1.00 H new ATOM 0 HG SER A 74 17.178 -4.750 -4.492 1.00 1.00 H new ATOM 1076 N PRO A 75 14.048 -5.523 -0.952 1.00 1.00 N ATOM 1077 CA PRO A 75 13.605 -6.377 0.136 1.00 1.00 C ATOM 1078 C PRO A 75 14.693 -7.378 0.526 1.00 1.00 C ATOM 1079 O PRO A 75 15.719 -7.479 -0.146 1.00 1.00 O ATOM 1080 CB PRO A 75 12.339 -7.044 -0.378 1.00 1.00 C ATOM 1081 CG PRO A 75 12.377 -6.900 -1.891 1.00 1.00 C ATOM 1082 CD PRO A 75 13.443 -5.872 -2.234 1.00 1.00 C ATOM 0 HA PRO A 75 13.403 -5.821 1.051 1.00 1.00 H new ATOM 0 HB2 PRO A 75 12.305 -8.094 -0.086 1.00 1.00 H new ATOM 0 HB3 PRO A 75 11.451 -6.568 0.037 1.00 1.00 H new ATOM 0 HG2 PRO A 75 12.605 -7.857 -2.360 1.00 1.00 H new ATOM 0 HG3 PRO A 75 11.405 -6.583 -2.269 1.00 1.00 H new ATOM 0 HD2 PRO A 75 14.182 -6.283 -2.922 1.00 1.00 H new ATOM 0 HD3 PRO A 75 13.008 -4.997 -2.718 1.00 1.00 H new ATOM 1090 N GLU A 76 14.434 -8.094 1.611 1.00 1.00 N ATOM 1091 CA GLU A 76 15.379 -9.084 2.098 1.00 1.00 C ATOM 1092 C GLU A 76 16.658 -8.402 2.586 1.00 1.00 C ATOM 1093 O GLU A 76 17.043 -8.552 3.745 1.00 1.00 O ATOM 1094 CB GLU A 76 15.689 -10.123 1.019 1.00 1.00 C ATOM 1095 CG GLU A 76 16.296 -11.387 1.634 1.00 1.00 C ATOM 1096 CD GLU A 76 17.824 -11.313 1.640 1.00 1.00 C ATOM 1097 OE1 GLU A 76 18.355 -10.455 0.901 1.00 1.00 O ATOM 1098 OE2 GLU A 76 18.428 -12.115 2.385 1.00 1.00 O ATOM 0 H GLU A 76 13.583 -8.008 2.166 1.00 1.00 H new ATOM 0 HA GLU A 76 14.926 -9.607 2.940 1.00 1.00 H new ATOM 0 HB2 GLU A 76 14.776 -10.378 0.481 1.00 1.00 H new ATOM 0 HB3 GLU A 76 16.381 -9.701 0.290 1.00 1.00 H new ATOM 0 HG2 GLU A 76 15.930 -11.512 2.653 1.00 1.00 H new ATOM 0 HG3 GLU A 76 15.973 -12.262 1.070 1.00 1.00 H new ATOM 1105 N ASP A 77 17.282 -7.666 1.678 1.00 1.00 N ATOM 1106 CA ASP A 77 18.510 -6.960 2.001 1.00 1.00 C ATOM 1107 C ASP A 77 18.206 -5.854 3.014 1.00 1.00 C ATOM 1108 O ASP A 77 19.077 -5.458 3.786 1.00 1.00 O ATOM 1109 CB ASP A 77 19.114 -6.307 0.756 1.00 1.00 C ATOM 1110 CG ASP A 77 19.281 -7.239 -0.446 1.00 1.00 C ATOM 1111 OD1 ASP A 77 19.589 -8.427 -0.205 1.00 1.00 O ATOM 1112 OD2 ASP A 77 19.098 -6.743 -1.579 1.00 1.00 O ATOM 0 H ASP A 77 16.960 -7.543 0.718 1.00 1.00 H new ATOM 0 HA ASP A 77 19.217 -7.683 2.408 1.00 1.00 H new ATOM 0 HB2 ASP A 77 18.483 -5.468 0.462 1.00 1.00 H new ATOM 0 HB3 ASP A 77 20.089 -5.896 1.016 1.00 1.00 H new ATOM 1117 N CYS A 78 16.967 -5.386 2.977 1.00 1.00 N ATOM 1118 CA CYS A 78 16.537 -4.334 3.883 1.00 1.00 C ATOM 1119 C CYS A 78 16.486 -4.910 5.299 1.00 1.00 C ATOM 1120 O CYS A 78 17.317 -4.573 6.140 1.00 1.00 O ATOM 1121 CB CYS A 78 15.193 -3.738 3.459 1.00 1.00 C ATOM 1122 SG CYS A 78 14.691 -2.241 4.386 1.00 1.00 S ATOM 0 H CYS A 78 16.247 -5.716 2.334 1.00 1.00 H new ATOM 0 HA CYS A 78 17.250 -3.510 3.854 1.00 1.00 H new ATOM 0 HB2 CYS A 78 15.239 -3.493 2.398 1.00 1.00 H new ATOM 0 HB3 CYS A 78 14.421 -4.498 3.578 1.00 1.00 H new ATOM 1127 N ALA A 79 15.501 -5.769 5.519 1.00 1.00 N ATOM 1128 CA ALA A 79 15.331 -6.394 6.819 1.00 1.00 C ATOM 1129 C ALA A 79 16.673 -6.961 7.287 1.00 1.00 C ATOM 1130 O ALA A 79 16.949 -7.002 8.485 1.00 1.00 O ATOM 1131 CB ALA A 79 14.244 -7.468 6.731 1.00 1.00 C ATOM 0 H ALA A 79 14.813 -6.046 4.819 1.00 1.00 H new ATOM 0 HA ALA A 79 15.007 -5.661 7.558 1.00 1.00 H new ATOM 0 HB1 ALA A 79 14.116 -7.937 7.707 1.00 1.00 H new ATOM 0 HB2 ALA A 79 13.304 -7.010 6.423 1.00 1.00 H new ATOM 0 HB3 ALA A 79 14.536 -8.223 6.001 1.00 1.00 H new ATOM 1137 N ALA A 80 17.471 -7.384 6.318 1.00 1.00 N ATOM 1138 CA ALA A 80 18.778 -7.946 6.616 1.00 1.00 C ATOM 1139 C ALA A 80 19.472 -7.081 7.669 1.00 1.00 C ATOM 1140 O ALA A 80 19.649 -7.506 8.810 1.00 1.00 O ATOM 1141 CB ALA A 80 19.591 -8.060 5.325 1.00 1.00 C ATOM 0 H ALA A 80 17.238 -7.349 5.326 1.00 1.00 H new ATOM 0 HA ALA A 80 18.680 -8.950 7.028 1.00 1.00 H new ATOM 0 HB1 ALA A 80 20.571 -8.481 5.548 1.00 1.00 H new ATOM 0 HB2 ALA A 80 19.069 -8.709 4.622 1.00 1.00 H new ATOM 0 HB3 ALA A 80 19.713 -7.071 4.884 1.00 1.00 H new ATOM 1147 N ARG A 81 19.848 -5.882 7.249 1.00 1.00 N ATOM 1148 CA ARG A 81 20.520 -4.952 8.141 1.00 1.00 C ATOM 1149 C ARG A 81 20.142 -3.511 7.790 1.00 1.00 C ATOM 1150 O ARG A 81 21.008 -2.643 7.702 1.00 1.00 O ATOM 1151 CB ARG A 81 22.040 -5.108 8.057 1.00 1.00 C ATOM 1152 CG ARG A 81 22.421 -6.520 7.607 1.00 1.00 C ATOM 1153 CD ARG A 81 22.571 -6.588 6.085 1.00 1.00 C ATOM 1154 NE ARG A 81 23.689 -7.489 5.727 1.00 1.00 N ATOM 1155 CZ ARG A 81 23.709 -8.802 5.989 1.00 1.00 C ATOM 1156 NH1 ARG A 81 22.672 -9.377 6.614 1.00 1.00 N ATOM 1157 NH2 ARG A 81 24.766 -9.543 5.627 1.00 1.00 N ATOM 0 H ARG A 81 19.700 -5.533 6.302 1.00 1.00 H new ATOM 0 HA ARG A 81 20.199 -5.178 9.158 1.00 1.00 H new ATOM 0 HB2 ARG A 81 22.446 -4.377 7.358 1.00 1.00 H new ATOM 0 HB3 ARG A 81 22.485 -4.900 9.030 1.00 1.00 H new ATOM 0 HG2 ARG A 81 23.356 -6.817 8.082 1.00 1.00 H new ATOM 0 HG3 ARG A 81 21.659 -7.228 7.933 1.00 1.00 H new ATOM 0 HD2 ARG A 81 21.645 -6.947 5.636 1.00 1.00 H new ATOM 0 HD3 ARG A 81 22.754 -5.591 5.684 1.00 1.00 H new ATOM 0 HE ARG A 81 24.495 -7.084 5.251 1.00 1.00 H new ATOM 0 HH11 ARG A 81 21.867 -8.814 6.890 1.00 1.00 H new ATOM 0 HH12 ARG A 81 22.688 -10.377 6.813 1.00 1.00 H new ATOM 0 HH21 ARG A 81 25.556 -9.107 5.152 1.00 1.00 H new ATOM 0 HH22 ARG A 81 24.780 -10.543 5.827 1.00 1.00 H new ATOM 1171 N ASN A 82 18.847 -3.303 7.599 1.00 1.00 N ATOM 1172 CA ASN A 82 18.344 -1.983 7.260 1.00 1.00 C ATOM 1173 C ASN A 82 17.058 -1.715 8.043 1.00 1.00 C ATOM 1174 O ASN A 82 16.288 -0.823 7.693 1.00 1.00 O ATOM 1175 CB ASN A 82 18.018 -1.885 5.768 1.00 1.00 C ATOM 1176 CG ASN A 82 19.225 -2.282 4.915 1.00 1.00 C ATOM 1177 OD1 ASN A 82 19.103 -2.894 3.867 1.00 1.00 O ATOM 1178 ND2 ASN A 82 20.394 -1.901 5.422 1.00 1.00 N ATOM 0 H ASN A 82 18.132 -4.026 7.673 1.00 1.00 H new ATOM 0 HA ASN A 82 19.115 -1.254 7.510 1.00 1.00 H new ATOM 0 HB2 ASN A 82 17.174 -2.533 5.533 1.00 1.00 H new ATOM 0 HB3 ASN A 82 17.715 -0.867 5.524 1.00 1.00 H new ATOM 0 HD21 ASN A 82 21.259 -2.119 4.928 1.00 1.00 H new ATOM 0 HD22 ASN A 82 20.425 -1.391 6.305 1.00 1.00 H new ATOM 1185 N CYS A 83 16.864 -2.506 9.089 1.00 1.00 N ATOM 1186 CA CYS A 83 15.685 -2.366 9.925 1.00 1.00 C ATOM 1187 C CYS A 83 14.482 -2.919 9.156 1.00 1.00 C ATOM 1188 O CYS A 83 14.647 -3.610 8.153 1.00 1.00 O ATOM 1189 CB CYS A 83 15.466 -0.914 10.357 1.00 1.00 C ATOM 1190 SG CYS A 83 16.948 -0.087 11.042 1.00 1.00 S ATOM 0 H CYS A 83 17.505 -3.246 9.376 1.00 1.00 H new ATOM 0 HA CYS A 83 15.820 -2.934 10.845 1.00 1.00 H new ATOM 0 HB2 CYS A 83 15.113 -0.343 9.498 1.00 1.00 H new ATOM 0 HB3 CYS A 83 14.674 -0.888 11.105 1.00 1.00 H new ATOM 1195 N CYS A 84 13.300 -2.592 9.657 1.00 1.00 N ATOM 1196 CA CYS A 84 12.070 -3.047 9.030 1.00 1.00 C ATOM 1197 C CYS A 84 12.042 -2.524 7.593 1.00 1.00 C ATOM 1198 O CYS A 84 12.771 -1.594 7.252 1.00 1.00 O ATOM 1199 CB CYS A 84 10.836 -2.611 9.822 1.00 1.00 C ATOM 1200 SG CYS A 84 10.791 -3.192 11.556 1.00 1.00 S ATOM 0 H CYS A 84 13.168 -2.018 10.489 1.00 1.00 H new ATOM 0 HA CYS A 84 12.045 -4.137 9.019 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.785 -1.522 9.817 1.00 1.00 H new ATOM 0 HB3 CYS A 84 9.946 -2.974 9.309 1.00 1.00 H new ATOM 1205 N PHE A 85 11.190 -3.143 6.789 1.00 1.00 N ATOM 1206 CA PHE A 85 11.056 -2.751 5.395 1.00 1.00 C ATOM 1207 C PHE A 85 9.599 -2.839 4.938 1.00 1.00 C ATOM 1208 O PHE A 85 9.079 -3.931 4.718 1.00 1.00 O ATOM 1209 CB PHE A 85 11.896 -3.730 4.572 1.00 1.00 C ATOM 1210 CG PHE A 85 12.045 -3.338 3.102 1.00 1.00 C ATOM 1211 CD1 PHE A 85 12.287 -2.042 2.763 1.00 1.00 C ATOM 1212 CD2 PHE A 85 11.935 -4.285 2.131 1.00 1.00 C ATOM 1213 CE1 PHE A 85 12.426 -1.678 1.399 1.00 1.00 C ATOM 1214 CE2 PHE A 85 12.073 -3.920 0.765 1.00 1.00 C ATOM 1215 CZ PHE A 85 12.316 -2.625 0.428 1.00 1.00 C ATOM 0 H PHE A 85 10.586 -3.913 7.076 1.00 1.00 H new ATOM 0 HA PHE A 85 11.388 -1.721 5.265 1.00 1.00 H new ATOM 0 HB2 PHE A 85 12.887 -3.807 5.019 1.00 1.00 H new ATOM 0 HB3 PHE A 85 11.442 -4.719 4.629 1.00 1.00 H new ATOM 0 HD1 PHE A 85 12.373 -1.290 3.533 1.00 1.00 H new ATOM 0 HD2 PHE A 85 11.743 -5.314 2.399 1.00 1.00 H new ATOM 0 HE1 PHE A 85 12.619 -0.650 1.131 1.00 1.00 H new ATOM 0 HE2 PHE A 85 11.985 -4.671 -0.006 1.00 1.00 H new ATOM 0 HZ PHE A 85 12.422 -2.348 -0.611 1.00 1.00 H new ATOM 1225 N SER A 86 8.982 -1.674 4.809 1.00 1.00 N ATOM 1226 CA SER A 86 7.594 -1.605 4.383 1.00 1.00 C ATOM 1227 C SER A 86 7.441 -0.569 3.268 1.00 1.00 C ATOM 1228 O SER A 86 7.166 0.600 3.534 1.00 1.00 O ATOM 1229 CB SER A 86 6.673 -1.263 5.556 1.00 1.00 C ATOM 1230 OG SER A 86 5.300 -1.273 5.177 1.00 1.00 O ATOM 0 H SER A 86 9.417 -0.770 4.992 1.00 1.00 H new ATOM 0 HA SER A 86 7.304 -2.585 4.003 1.00 1.00 H new ATOM 0 HB2 SER A 86 6.832 -1.979 6.362 1.00 1.00 H new ATOM 0 HB3 SER A 86 6.934 -0.280 5.947 1.00 1.00 H new ATOM 0 HG SER A 86 4.739 -1.211 5.978 1.00 1.00 H new ATOM 1236 N ASP A 87 7.623 -1.036 2.041 1.00 1.00 N ATOM 1237 CA ASP A 87 7.508 -0.164 0.884 1.00 1.00 C ATOM 1238 C ASP A 87 6.033 0.159 0.639 1.00 1.00 C ATOM 1239 O ASP A 87 5.709 1.011 -0.187 1.00 1.00 O ATOM 1240 CB ASP A 87 8.060 -0.840 -0.373 1.00 1.00 C ATOM 1241 CG ASP A 87 7.116 -1.849 -1.030 1.00 1.00 C ATOM 1242 OD1 ASP A 87 6.793 -2.848 -0.353 1.00 1.00 O ATOM 1243 OD2 ASP A 87 6.740 -1.597 -2.196 1.00 1.00 O ATOM 0 H ASP A 87 7.849 -2.006 1.823 1.00 1.00 H new ATOM 0 HA ASP A 87 8.080 0.742 1.086 1.00 1.00 H new ATOM 0 HB2 ASP A 87 8.309 -0.069 -1.102 1.00 1.00 H new ATOM 0 HB3 ASP A 87 8.989 -1.348 -0.116 1.00 1.00 H new ATOM 1248 N THR A 88 5.178 -0.539 1.372 1.00 1.00 N ATOM 1249 CA THR A 88 3.744 -0.337 1.244 1.00 1.00 C ATOM 1250 C THR A 88 3.436 1.134 0.960 1.00 1.00 C ATOM 1251 O THR A 88 2.490 1.445 0.238 1.00 1.00 O ATOM 1252 CB THR A 88 3.078 -0.863 2.517 1.00 1.00 C ATOM 1253 OG1 THR A 88 1.687 -0.651 2.293 1.00 1.00 O ATOM 1254 CG2 THR A 88 3.393 -0.002 3.741 1.00 1.00 C ATOM 0 H THR A 88 5.450 -1.245 2.056 1.00 1.00 H new ATOM 0 HA THR A 88 3.340 -0.890 0.396 1.00 1.00 H new ATOM 0 HB THR A 88 3.403 -1.887 2.700 1.00 1.00 H new ATOM 0 HG1 THR A 88 1.179 -0.966 3.070 1.00 1.00 H new ATOM 0 HG21 THR A 88 2.896 -0.419 4.617 1.00 1.00 H new ATOM 0 HG22 THR A 88 4.470 0.013 3.908 1.00 1.00 H new ATOM 0 HG23 THR A 88 3.038 1.014 3.572 1.00 1.00 H new ATOM 1262 N ILE A 89 4.253 2.000 1.543 1.00 1.00 N ATOM 1263 CA ILE A 89 4.079 3.432 1.361 1.00 1.00 C ATOM 1264 C ILE A 89 5.179 3.961 0.439 1.00 1.00 C ATOM 1265 O ILE A 89 6.314 4.158 0.871 1.00 1.00 O ATOM 1266 CB ILE A 89 4.017 4.139 2.715 1.00 1.00 C ATOM 1267 CG1 ILE A 89 2.803 3.674 3.522 1.00 1.00 C ATOM 1268 CG2 ILE A 89 4.041 5.659 2.541 1.00 1.00 C ATOM 1269 CD1 ILE A 89 1.623 3.352 2.602 1.00 1.00 C ATOM 0 H ILE A 89 5.037 1.738 2.141 1.00 1.00 H new ATOM 0 HA ILE A 89 3.127 3.643 0.874 1.00 1.00 H new ATOM 0 HB ILE A 89 4.906 3.865 3.284 1.00 1.00 H new ATOM 0 HG12 ILE A 89 3.066 2.791 4.105 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.515 4.450 4.231 1.00 1.00 H new ATOM 0 HG21 ILE A 89 3.996 6.138 3.519 1.00 1.00 H new ATOM 0 HG22 ILE A 89 4.961 5.953 2.035 1.00 1.00 H new ATOM 0 HG23 ILE A 89 3.183 5.971 1.945 1.00 1.00 H new ATOM 0 HD11 ILE A 89 0.774 3.024 3.201 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.347 4.243 2.039 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.907 2.559 1.910 1.00 1.00 H new ATOM 1281 N PRO A 90 4.795 4.183 -0.847 1.00 1.00 N ATOM 1282 CA PRO A 90 5.736 4.685 -1.833 1.00 1.00 C ATOM 1283 C PRO A 90 6.007 6.176 -1.621 1.00 1.00 C ATOM 1284 O PRO A 90 5.093 6.940 -1.315 1.00 1.00 O ATOM 1285 CB PRO A 90 5.096 4.383 -3.179 1.00 1.00 C ATOM 1286 CG PRO A 90 3.621 4.147 -2.894 1.00 1.00 C ATOM 1287 CD PRO A 90 3.460 3.960 -1.393 1.00 1.00 C ATOM 0 HA PRO A 90 6.715 4.212 -1.759 1.00 1.00 H new ATOM 0 HB2 PRO A 90 5.232 5.214 -3.872 1.00 1.00 H new ATOM 0 HB3 PRO A 90 5.550 3.506 -3.640 1.00 1.00 H new ATOM 0 HG2 PRO A 90 3.026 4.992 -3.239 1.00 1.00 H new ATOM 0 HG3 PRO A 90 3.265 3.266 -3.429 1.00 1.00 H new ATOM 0 HD2 PRO A 90 2.740 4.667 -0.981 1.00 1.00 H new ATOM 0 HD3 PRO A 90 3.097 2.960 -1.155 1.00 1.00 H new ATOM 1295 N GLU A 91 7.268 6.546 -1.794 1.00 1.00 N ATOM 1296 CA GLU A 91 7.671 7.932 -1.626 1.00 1.00 C ATOM 1297 C GLU A 91 7.963 8.224 -0.152 1.00 1.00 C ATOM 1298 O GLU A 91 7.747 9.341 0.317 1.00 1.00 O ATOM 1299 CB GLU A 91 6.605 8.884 -2.173 1.00 1.00 C ATOM 1300 CG GLU A 91 6.096 8.411 -3.536 1.00 1.00 C ATOM 1301 CD GLU A 91 4.584 8.610 -3.656 1.00 1.00 C ATOM 1302 OE1 GLU A 91 3.925 8.610 -2.593 1.00 1.00 O ATOM 1303 OE2 GLU A 91 4.121 8.759 -4.807 1.00 1.00 O ATOM 0 H GLU A 91 8.024 5.910 -2.049 1.00 1.00 H new ATOM 0 HA GLU A 91 8.585 8.096 -2.197 1.00 1.00 H new ATOM 0 HB2 GLU A 91 5.773 8.946 -1.471 1.00 1.00 H new ATOM 0 HB3 GLU A 91 7.021 9.888 -2.264 1.00 1.00 H new ATOM 0 HG2 GLU A 91 6.603 8.962 -4.328 1.00 1.00 H new ATOM 0 HG3 GLU A 91 6.340 7.358 -3.674 1.00 1.00 H new ATOM 1310 N VAL A 92 8.449 7.202 0.536 1.00 1.00 N ATOM 1311 CA VAL A 92 8.774 7.336 1.946 1.00 1.00 C ATOM 1312 C VAL A 92 9.870 6.333 2.310 1.00 1.00 C ATOM 1313 O VAL A 92 10.321 5.565 1.462 1.00 1.00 O ATOM 1314 CB VAL A 92 7.508 7.172 2.791 1.00 1.00 C ATOM 1315 CG1 VAL A 92 6.283 7.716 2.054 1.00 1.00 C ATOM 1316 CG2 VAL A 92 7.304 5.710 3.195 1.00 1.00 C ATOM 0 H VAL A 92 8.626 6.277 0.144 1.00 1.00 H new ATOM 0 HA VAL A 92 9.163 8.332 2.156 1.00 1.00 H new ATOM 0 HB VAL A 92 7.635 7.755 3.703 1.00 1.00 H new ATOM 0 HG11 VAL A 92 5.397 7.587 2.676 1.00 1.00 H new ATOM 0 HG12 VAL A 92 6.427 8.775 1.842 1.00 1.00 H new ATOM 0 HG13 VAL A 92 6.151 7.173 1.118 1.00 1.00 H new ATOM 0 HG21 VAL A 92 6.398 5.621 3.794 1.00 1.00 H new ATOM 0 HG22 VAL A 92 7.209 5.095 2.300 1.00 1.00 H new ATOM 0 HG23 VAL A 92 8.160 5.371 3.779 1.00 1.00 H new ATOM 1326 N PRO A 93 10.278 6.373 3.607 1.00 1.00 N ATOM 1327 CA PRO A 93 11.313 5.477 4.094 1.00 1.00 C ATOM 1328 C PRO A 93 10.770 4.057 4.273 1.00 1.00 C ATOM 1329 O PRO A 93 10.020 3.789 5.211 1.00 1.00 O ATOM 1330 CB PRO A 93 11.791 6.098 5.396 1.00 1.00 C ATOM 1331 CG PRO A 93 10.694 7.060 5.825 1.00 1.00 C ATOM 1332 CD PRO A 93 9.767 7.269 4.641 1.00 1.00 C ATOM 0 HA PRO A 93 12.140 5.370 3.392 1.00 1.00 H new ATOM 0 HB2 PRO A 93 11.959 5.334 6.155 1.00 1.00 H new ATOM 0 HB3 PRO A 93 12.737 6.621 5.255 1.00 1.00 H new ATOM 0 HG2 PRO A 93 10.143 6.656 6.674 1.00 1.00 H new ATOM 0 HG3 PRO A 93 11.123 8.009 6.146 1.00 1.00 H new ATOM 0 HD2 PRO A 93 8.735 7.029 4.899 1.00 1.00 H new ATOM 0 HD3 PRO A 93 9.779 8.307 4.307 1.00 1.00 H new ATOM 1340 N TRP A 94 11.170 3.186 3.359 1.00 1.00 N ATOM 1341 CA TRP A 94 10.733 1.801 3.404 1.00 1.00 C ATOM 1342 C TRP A 94 11.504 1.098 4.523 1.00 1.00 C ATOM 1343 O TRP A 94 10.936 0.299 5.267 1.00 1.00 O ATOM 1344 CB TRP A 94 10.908 1.126 2.042 1.00 1.00 C ATOM 1345 CG TRP A 94 10.080 1.761 0.922 1.00 1.00 C ATOM 1346 CD1 TRP A 94 9.182 2.750 1.020 1.00 1.00 C ATOM 1347 CD2 TRP A 94 10.112 1.407 -0.477 1.00 1.00 C ATOM 1348 NE1 TRP A 94 8.634 3.059 -0.209 1.00 1.00 N ATOM 1349 CE2 TRP A 94 9.218 2.216 -1.148 1.00 1.00 C ATOM 1350 CE3 TRP A 94 10.871 0.436 -1.152 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 8.998 2.136 -2.528 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 10.640 0.368 -2.532 1.00 1.00 C ATOM 1353 CH2 TRP A 94 9.744 1.175 -3.222 1.00 1.00 C ATOM 0 H TRP A 94 11.792 3.412 2.583 1.00 1.00 H new ATOM 0 HA TRP A 94 9.667 1.740 3.624 1.00 1.00 H new ATOM 0 HB2 TRP A 94 11.962 1.159 1.764 1.00 1.00 H new ATOM 0 HB3 TRP A 94 10.634 0.075 2.131 1.00 1.00 H new ATOM 0 HD1 TRP A 94 8.920 3.244 1.944 1.00 1.00 H new ATOM 0 HE1 TRP A 94 7.930 3.774 -0.394 1.00 1.00 H new ATOM 0 HE3 TRP A 94 11.577 -0.207 -0.647 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 8.292 2.780 -3.030 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 11.197 -0.363 -3.099 1.00 1.00 H new ATOM 0 HH2 TRP A 94 9.623 1.062 -4.289 1.00 1.00 H new ATOM 1364 N CYS A 95 12.786 1.419 4.606 1.00 1.00 N ATOM 1365 CA CYS A 95 13.641 0.829 5.622 1.00 1.00 C ATOM 1366 C CYS A 95 13.616 1.732 6.856 1.00 1.00 C ATOM 1367 O CYS A 95 14.385 2.688 6.947 1.00 1.00 O ATOM 1368 CB CYS A 95 15.064 0.608 5.106 1.00 1.00 C ATOM 1369 SG CYS A 95 15.204 -0.580 3.721 1.00 1.00 S ATOM 0 H CYS A 95 13.254 2.080 3.986 1.00 1.00 H new ATOM 0 HA CYS A 95 13.264 -0.158 5.888 1.00 1.00 H new ATOM 0 HB2 CYS A 95 15.472 1.567 4.786 1.00 1.00 H new ATOM 0 HB3 CYS A 95 15.684 0.257 5.931 1.00 1.00 H new ATOM 1374 N PHE A 96 12.724 1.397 7.777 1.00 1.00 N ATOM 1375 CA PHE A 96 12.587 2.166 9.002 1.00 1.00 C ATOM 1376 C PHE A 96 12.968 1.324 10.223 1.00 1.00 C ATOM 1377 O PHE A 96 13.110 0.107 10.123 1.00 1.00 O ATOM 1378 CB PHE A 96 11.116 2.570 9.116 1.00 1.00 C ATOM 1379 CG PHE A 96 10.140 1.396 9.023 1.00 1.00 C ATOM 1380 CD1 PHE A 96 9.765 0.918 7.807 1.00 1.00 C ATOM 1381 CD2 PHE A 96 9.645 0.832 10.157 1.00 1.00 C ATOM 1382 CE1 PHE A 96 8.858 -0.171 7.720 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.739 -0.257 10.071 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.363 -0.736 8.854 1.00 1.00 C ATOM 0 H PHE A 96 12.089 0.603 7.699 1.00 1.00 H new ATOM 0 HA PHE A 96 13.246 3.034 8.971 1.00 1.00 H new ATOM 0 HB2 PHE A 96 10.963 3.082 10.066 1.00 1.00 H new ATOM 0 HB3 PHE A 96 10.884 3.286 8.327 1.00 1.00 H new ATOM 0 HD1 PHE A 96 10.157 1.367 6.906 1.00 1.00 H new ATOM 0 HD2 PHE A 96 9.941 1.213 11.123 1.00 1.00 H new ATOM 0 HE1 PHE A 96 8.561 -0.551 6.753 1.00 1.00 H new ATOM 0 HE2 PHE A 96 8.348 -0.706 10.972 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.672 -1.564 8.789 1.00 1.00 H new ATOM 1394 N PHE A 97 13.123 2.007 11.347 1.00 1.00 N ATOM 1395 CA PHE A 97 13.485 1.339 12.585 1.00 1.00 C ATOM 1396 C PHE A 97 12.244 0.793 13.296 1.00 1.00 C ATOM 1397 O PHE A 97 11.190 1.427 13.289 1.00 1.00 O ATOM 1398 CB PHE A 97 14.152 2.385 13.481 1.00 1.00 C ATOM 1399 CG PHE A 97 15.512 2.864 12.970 1.00 1.00 C ATOM 1400 CD1 PHE A 97 16.577 2.019 12.977 1.00 1.00 C ATOM 1401 CD2 PHE A 97 15.656 4.136 12.510 1.00 1.00 C ATOM 1402 CE1 PHE A 97 17.840 2.463 12.503 1.00 1.00 C ATOM 1403 CE2 PHE A 97 16.919 4.581 12.036 1.00 1.00 C ATOM 1404 CZ PHE A 97 17.984 3.735 12.043 1.00 1.00 C ATOM 0 H PHE A 97 13.004 3.017 11.426 1.00 1.00 H new ATOM 0 HA PHE A 97 14.150 0.501 12.375 1.00 1.00 H new ATOM 0 HB2 PHE A 97 13.488 3.244 13.576 1.00 1.00 H new ATOM 0 HB3 PHE A 97 14.277 1.967 14.480 1.00 1.00 H new ATOM 0 HD1 PHE A 97 16.463 1.009 13.343 1.00 1.00 H new ATOM 0 HD2 PHE A 97 14.810 4.808 12.505 1.00 1.00 H new ATOM 0 HE1 PHE A 97 18.686 1.791 12.508 1.00 1.00 H new ATOM 0 HE2 PHE A 97 17.034 5.591 11.670 1.00 1.00 H new ATOM 0 HZ PHE A 97 18.944 4.073 11.683 1.00 1.00 H new ATOM 1414 N PRO A 98 12.416 -0.409 13.910 1.00 1.00 N ATOM 1415 CA PRO A 98 11.323 -1.047 14.624 1.00 1.00 C ATOM 1416 C PRO A 98 11.069 -0.359 15.967 1.00 1.00 C ATOM 1417 O PRO A 98 10.090 -0.661 16.647 1.00 1.00 O ATOM 1418 CB PRO A 98 11.745 -2.500 14.772 1.00 1.00 C ATOM 1419 CG PRO A 98 13.248 -2.522 14.550 1.00 1.00 C ATOM 1420 CD PRO A 98 13.650 -1.188 13.940 1.00 1.00 C ATOM 0 HA PRO A 98 10.374 -0.973 14.093 1.00 1.00 H new ATOM 0 HB2 PRO A 98 11.491 -2.882 15.761 1.00 1.00 H new ATOM 0 HB3 PRO A 98 11.234 -3.131 14.045 1.00 1.00 H new ATOM 0 HG2 PRO A 98 13.771 -2.683 15.493 1.00 1.00 H new ATOM 0 HG3 PRO A 98 13.524 -3.343 13.888 1.00 1.00 H new ATOM 0 HD2 PRO A 98 14.416 -0.694 14.538 1.00 1.00 H new ATOM 0 HD3 PRO A 98 14.061 -1.318 12.939 1.00 1.00 H new ATOM 1428 N MET A 99 11.968 0.554 16.307 1.00 1.00 N ATOM 1429 CA MET A 99 11.853 1.287 17.556 1.00 1.00 C ATOM 1430 C MET A 99 10.760 2.353 17.467 1.00 1.00 C ATOM 1431 O MET A 99 10.497 2.891 16.392 1.00 1.00 O ATOM 1432 CB MET A 99 13.192 1.954 17.880 1.00 1.00 C ATOM 1433 CG MET A 99 13.435 3.164 16.978 1.00 1.00 C ATOM 1434 SD MET A 99 15.177 3.547 16.925 1.00 1.00 S ATOM 1435 CE MET A 99 15.122 5.139 16.122 1.00 1.00 C ATOM 0 H MET A 99 12.778 0.802 15.739 1.00 1.00 H new ATOM 0 HA MET A 99 11.586 0.585 18.346 1.00 1.00 H new ATOM 0 HB2 MET A 99 13.203 2.267 18.924 1.00 1.00 H new ATOM 0 HB3 MET A 99 14.001 1.234 17.754 1.00 1.00 H new ATOM 0 HG2 MET A 99 13.069 2.957 15.972 1.00 1.00 H new ATOM 0 HG3 MET A 99 12.877 4.023 17.350 1.00 1.00 H new ATOM 0 HE1 MET A 99 16.135 5.525 16.009 1.00 1.00 H new ATOM 0 HE2 MET A 99 14.662 5.035 15.139 1.00 1.00 H new ATOM 0 HE3 MET A 99 14.535 5.831 16.726 1.00 1.00 H new ATOM 1445 N SER A 100 10.151 2.628 18.612 1.00 1.00 N ATOM 1446 CA SER A 100 9.092 3.621 18.677 1.00 1.00 C ATOM 1447 C SER A 100 8.146 3.300 19.836 1.00 1.00 C ATOM 1448 O SER A 100 8.370 2.346 20.580 1.00 1.00 O ATOM 1449 CB SER A 100 8.317 3.685 17.360 1.00 1.00 C ATOM 1450 OG SER A 100 8.182 2.402 16.756 1.00 1.00 O ATOM 0 H SER A 100 10.371 2.180 19.502 1.00 1.00 H new ATOM 0 HA SER A 100 9.546 4.597 18.847 1.00 1.00 H new ATOM 0 HB2 SER A 100 7.328 4.106 17.542 1.00 1.00 H new ATOM 0 HB3 SER A 100 8.828 4.358 16.671 1.00 1.00 H new ATOM 0 HG SER A 100 8.842 2.308 16.037 1.00 1.00 H new ATOM 1456 N VAL A 101 7.107 4.114 19.952 1.00 1.00 N ATOM 1457 CA VAL A 101 6.125 3.930 21.007 1.00 1.00 C ATOM 1458 C VAL A 101 5.933 2.434 21.262 1.00 1.00 C ATOM 1459 O VAL A 101 6.639 1.845 22.080 1.00 1.00 O ATOM 1460 CB VAL A 101 4.823 4.646 20.641 1.00 1.00 C ATOM 1461 CG1 VAL A 101 4.804 6.069 21.204 1.00 1.00 C ATOM 1462 CG2 VAL A 101 4.607 4.652 19.127 1.00 1.00 C ATOM 0 H VAL A 101 6.924 4.903 19.332 1.00 1.00 H new ATOM 0 HA VAL A 101 6.475 4.377 21.938 1.00 1.00 H new ATOM 0 HB VAL A 101 3.999 4.095 21.094 1.00 1.00 H new ATOM 0 HG11 VAL A 101 3.868 6.556 20.930 1.00 1.00 H new ATOM 0 HG12 VAL A 101 4.889 6.032 22.290 1.00 1.00 H new ATOM 0 HG13 VAL A 101 5.641 6.634 20.794 1.00 1.00 H new ATOM 0 HG21 VAL A 101 3.675 5.167 18.895 1.00 1.00 H new ATOM 0 HG22 VAL A 101 5.437 5.167 18.643 1.00 1.00 H new ATOM 0 HG23 VAL A 101 4.555 3.626 18.763 1.00 1.00 H new ATOM 1472 N GLU A 102 4.974 1.863 20.548 1.00 1.00 N ATOM 1473 CA GLU A 102 4.680 0.446 20.687 1.00 1.00 C ATOM 1474 C GLU A 102 3.542 0.236 21.687 1.00 1.00 C ATOM 1475 O GLU A 102 3.292 -0.887 22.123 1.00 1.00 O ATOM 1476 CB GLU A 102 5.928 -0.334 21.105 1.00 1.00 C ATOM 1477 CG GLU A 102 7.135 0.061 20.252 1.00 1.00 C ATOM 1478 CD GLU A 102 7.515 -1.063 19.286 1.00 1.00 C ATOM 1479 OE1 GLU A 102 6.580 -1.727 18.790 1.00 1.00 O ATOM 1480 OE2 GLU A 102 8.734 -1.232 19.065 1.00 1.00 O ATOM 0 H GLU A 102 4.391 2.355 19.872 1.00 1.00 H new ATOM 0 HA GLU A 102 4.361 0.064 19.717 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.144 -0.144 22.156 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.743 -1.404 21.005 1.00 1.00 H new ATOM 0 HG2 GLU A 102 6.907 0.967 19.690 1.00 1.00 H new ATOM 0 HG3 GLU A 102 7.982 0.292 20.898 1.00 1.00 H new ATOM 1487 N ASP A 103 2.881 1.334 22.022 1.00 1.00 N ATOM 1488 CA ASP A 103 1.774 1.285 22.962 1.00 1.00 C ATOM 1489 C ASP A 103 0.454 1.341 22.193 1.00 1.00 C ATOM 1490 O ASP A 103 -0.592 1.636 22.769 1.00 1.00 O ATOM 1491 CB ASP A 103 1.814 2.475 23.922 1.00 1.00 C ATOM 1492 CG ASP A 103 1.298 3.793 23.340 1.00 1.00 C ATOM 1493 OD1 ASP A 103 1.803 4.172 22.260 1.00 1.00 O ATOM 1494 OD2 ASP A 103 0.412 4.392 23.987 1.00 1.00 O ATOM 0 H ASP A 103 3.091 2.264 21.659 1.00 1.00 H new ATOM 0 HA ASP A 103 1.856 0.359 23.532 1.00 1.00 H new ATOM 0 HB2 ASP A 103 1.225 2.230 24.805 1.00 1.00 H new ATOM 0 HB3 ASP A 103 2.842 2.620 24.255 1.00 1.00 H new ATOM 1499 N CYS A 104 0.545 1.053 20.903 1.00 1.00 N ATOM 1500 CA CYS A 104 -0.631 1.067 20.048 1.00 1.00 C ATOM 1501 C CYS A 104 -1.801 0.469 20.830 1.00 1.00 C ATOM 1502 O CYS A 104 -1.602 -0.372 21.705 1.00 1.00 O ATOM 1503 CB CYS A 104 -0.383 0.326 18.733 1.00 1.00 C ATOM 1504 SG CYS A 104 1.304 0.515 18.050 1.00 1.00 S ATOM 0 H CYS A 104 1.414 0.809 20.429 1.00 1.00 H new ATOM 0 HA CYS A 104 -0.870 2.094 19.770 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -0.580 -0.735 18.888 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -1.101 0.679 17.993 1.00 1.00 H new ATOM 1509 N HIS A 105 -2.997 0.924 20.486 1.00 1.00 N ATOM 1510 CA HIS A 105 -4.199 0.444 21.145 1.00 1.00 C ATOM 1511 C HIS A 105 -5.329 0.317 20.122 1.00 1.00 C ATOM 1512 O HIS A 105 -5.233 0.850 19.017 1.00 1.00 O ATOM 1513 CB HIS A 105 -4.566 1.343 22.327 1.00 1.00 C ATOM 1514 CG HIS A 105 -4.392 2.818 22.055 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -4.844 3.424 20.896 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -3.813 3.800 22.803 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -4.543 4.714 20.954 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -3.905 4.944 22.137 1.00 1.00 N ATOM 0 H HIS A 105 -3.159 1.621 19.759 1.00 1.00 H new ATOM 0 HA HIS A 105 -4.020 -0.548 21.560 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -5.603 1.155 22.605 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -3.952 1.067 23.184 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -3.357 3.669 23.773 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -4.764 5.452 20.198 1.00 1.00 H new ATOM 0 HE2 HIS A 105 -3.556 5.847 22.457 1.00 1.00 H new ATOM 1526 N TYR A 106 -6.375 -0.389 20.527 1.00 1.00 N ATOM 1527 CA TYR A 106 -7.522 -0.591 19.659 1.00 1.00 C ATOM 1528 C TYR A 106 -8.585 0.483 19.896 1.00 1.00 C ATOM 1529 O TYR A 106 -8.678 1.040 20.989 1.00 1.00 O ATOM 1530 CB TYR A 106 -8.101 -1.956 20.038 1.00 1.00 C ATOM 1531 CG TYR A 106 -7.270 -3.143 19.546 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -6.077 -3.455 20.166 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -7.714 -3.902 18.482 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -5.294 -4.571 19.702 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -6.931 -5.019 18.019 1.00 1.00 C ATOM 1536 CZ TYR A 106 -5.761 -5.298 18.652 1.00 1.00 C ATOM 1537 OH TYR A 106 -5.021 -6.353 18.215 1.00 1.00 O ATOM 0 H TYR A 106 -6.452 -0.828 21.445 1.00 1.00 H new ATOM 0 HA TYR A 106 -7.225 -0.538 18.612 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -8.190 -2.013 21.123 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -9.109 -2.038 19.631 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -5.731 -2.862 20.999 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -8.648 -3.659 17.997 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -4.358 -4.825 20.177 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -7.266 -5.621 17.188 1.00 1.00 H new ATOM 0 HH TYR A 106 -5.519 -6.838 17.525 1.00 1.00 H new TER 1547 TYR A 106